PubChemLite - Tetraphenylporphyrin (C44H30N4)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H30N4/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36/h1-28,45,48H

InChIKey

YNHJECZULSZAQK-UHFFFAOYSA-N

Compound name

5,10,15,20-tetraphenyl-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]+	615.25438	212.8
[M+Na]+	637.23632	220.5
[M-H]-	613.23982	223.4
[M+NH4]+	632.28092	217.6
[M+K]+	653.21026	212.3
[M+H-H2O]+	597.24436	206.6
[M+HCOO]-	659.24530	226.5
[M+CH3COO]-	673.26095	218.8
[M+Na-2H]-	635.22177	210.2
[M]+	614.24655	215.6
[M]-	614.24765	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

615.25438

212.8

[M+Na]+

637.23632

220.5

[M-H]-

613.23982

223.4

[M+NH4]+

632.28092

217.6

[M+K]+

653.21026

212.3

[M+H-H2O]+

597.24436

206.6

[M+HCOO]-

659.24530

226.5

[M+CH3COO]-

673.26095

218.8

[M+Na-2H]-

635.22177

210.2

[M]+

614.24655

215.6

[M]-

614.24765

215.6

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

Tetraphenylporphyrin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe