CID 71431125

36965-71-6

Structural Information

Molecular Formula
C44H10F20N4
SMILES
C1=CC2=CC3=NC(=C(C4=C(C(=C(N4C5=C(C(=C(C(=C5F)F)F)F)F)C=C6C=CC(=N6)C=C1N2)C7=C(C(=C(C(=C7F)F)F)F)F)C8=C(C(=C(C(=C8F)F)F)F)F)C9=C(C(=C(C(=C9F)F)F)F)F)C=C3
InChI
InChI=1S/C44H10F20N4/c45-23-20(24(46)30(52)35(57)29(23)51)17-15-6-5-13(67-15)8-12-2-1-10(65-12)7-11-3-4-14(66-11)9-16-18(21-25(47)31(53)36(58)32(54)26(21)48)19(22-27(49)33(55)37(59)34(56)28(22)50)43(17)68(16)44-41(63)39(61)38(60)40(62)42(44)64/h1-9,65H
InChIKey
LYMVHNBGCIAWOO-UHFFFAOYSA-N
Compound name
10,12,13,23-tetrakis(2,3,4,5,6-pentafluorophenyl)-21H-porphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
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 159.5
[M]+ 974.05805 158.6
[M]- 974.05915 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.