CID 135401562

25440-14-6

Structural Information

Molecular Formula
C44H10F20N4
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

compound 2d structure
2
Annotation Hits

8
References

483
Patents

974.0586 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 975.06588 158.6
[M+Na]+ 997.04782 158.8
[M+NH4]+ 992.09242 158.7
[M+K]+ 1013.0218 159.5
[M-H]- 973.05132 158.4
[M+Na-2H]- 995.03327 159.4
[M]+ 974.05805 158.5
[M]- 974.05915 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe