PubChemLite - 21h,23h-porphine, 5,10,15,20-tetrakis(4-chlorophenyl)- (C44H26Cl4N4)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl

InChI

InChI=1S/C44H26Cl4N4/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27/h1-24,49,52H

InChIKey

KLMHOLCGHWVPMP-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrakis(4-chlorophenyl)-21,23-dihydroporphyrin

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	751.09848	246.1
[M+Na]+	773.08042	257.3
[M-H]-	749.08392	252.7
[M+NH4]+	768.12502	248.7
[M+K]+	789.05436	250.2
[M+H-H2O]+	733.08846	237.5
[M+HCOO]-	795.08940	241.4
[M+CH3COO]-	809.10505	249.1
[M+Na-2H]-	771.06587	237.2
[M]+	750.09065	255.1
[M]-	750.09175	255.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

751.09848

246.1

[M+Na]+

773.08042

257.3

[M-H]-

749.08392

252.7

[M+NH4]+

768.12502

248.7

[M+K]+

789.05436

250.2

[M+H-H2O]+

733.08846

237.5

[M+HCOO]-

795.08940

241.4

[M+CH3COO]-

809.10505

249.1

[M+Na-2H]-

771.06587

237.2

[M]+

750.09065

255.1

[M]-

750.09175

255.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

21h,23h-porphine, 5,10,15,20-tetrakis(4-chlorophenyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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