PubChemLite - 25440-14-6 (C44H10F20N4)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C3=NC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C1N2)C6=C(C(=C(C(=C6F)F)F)F)F)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C=C3)C9=C(C(=C(C(=C9F)F)F)F)F

InChI

InChI=1S/C44H10F20N4/c45-25-21(26(46)34(54)41(61)33(25)53)17-9-1-2-10(65-9)18(22-27(47)35(55)42(62)36(56)28(22)48)12-5-6-14(67-12)20(24-31(51)39(59)44(64)40(60)32(24)52)16-8-7-15(68-16)19(13-4-3-11(17)66-13)23-29(49)37(57)43(63)38(58)30(23)50/h1-8,65,68H

InChIKey

VJEVAXUMNMFKDT-UHFFFAOYSA-N

Compound name

5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-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]+	975.06588	294.6
[M+Na]+	997.04782	314.6
[M-H]-	973.05132	292.0
[M+NH4]+	992.09242	291.6
[M+K]+	1013.0218	299.3
[M+H-H2O]+	957.05586	280.0
[M+HCOO]-	1019.0568	289.9
[M+CH3COO]-	1033.0725	293.6
[M+Na-2H]-	995.03327	271.7
[M]+	974.05805	290.6
[M]-	974.05915	290.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

975.06588

294.6

[M+Na]+

997.04782

314.6

[M-H]-

973.05132

292.0

[M+NH4]+

992.09242

291.6

[M+K]+

1013.0218

299.3

[M+H-H2O]+

957.05586

280.0

[M+HCOO]-

1019.0568

289.9

[M+CH3COO]-

1033.0725

293.6

[M+Na-2H]-

995.03327

271.7

[M]+

974.05805

290.6

[M]-

974.05915

290.6

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

25440-14-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe