CID 135524771

5-(4-pentafluorophenyloxy-phenyl)-10,15,20-triphenyl-porphyrin

Structural Information

Molecular Formula
C50H29F5N4O
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=C(C=C8)OC9=C(C(=C(C(=C9F)F)F)F)F)C=C4)C1=CC=CC=C1)N3
InChI
InChI=1S/C50H29F5N4O/c51-45-46(52)48(54)50(49(55)47(45)53)60-32-18-16-31(17-19-32)44-39-26-24-37(58-39)42(29-12-6-2-7-13-29)35-22-20-33(56-35)41(28-10-4-1-5-11-28)34-21-23-36(57-34)43(30-14-8-3-9-15-30)38-25-27-40(44)59-38/h1-27,56,59H
InChIKey
DLCMIMMYFPXMDQ-UHFFFAOYSA-N
Compound name
5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

796.22614 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 797.23342 246.1
[M+Na]+ 819.21536 255.6
[M-H]- 795.21886 255.3
[M+NH4]+ 814.25996 244.7
[M+K]+ 835.18930 245.9
[M+H-H2O]+ 779.22340 235.9
[M+HCOO]- 841.22434 253.6
[M+CH3COO]- 855.23999 249.0
[M+Na-2H]- 817.20081 236.7
[M]+ 796.22559 248.5
[M]- 796.22669 248.5
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

No patent data available for this compound.