CID 170920774

C44h8f20n4pt

Structural Information

Molecular Formula
C44H10F20N4
SMILES
C1C=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(C5=NC(=C(C1=N2)C6=C(C(=C(C(=C6F)F)F)F)F)C=C5)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
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/h1-7,18H,8H2
InChIKey
VWWZQASSQXGVAW-UHFFFAOYSA-N
Compound name
5,10,15,20-tetrakis(2,3,4,5,6-pentafluorophenyl)-2,15-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

974.0586 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 975.065876 300.3
[M+Na]+ 997.047818 319.8
[M-H]- 973.051324 298.3
[M+NH4]+ 992.092423 297.8
[M+K]+ 1013.021758 304.8
[M+H-H2O]+ 957.055860 284.6
[M+HCOO]- 1019.056801 295.4
[M+CH3COO]- 1033.072451 299.1
[M+Na-2H]- 995.033266 275.5
[M]+ 974.05805142 295.8
[M]- 974.05914858 295.8
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.