CID 67280

[1,1'-biphenyl]-4-carboxylic acid, 4',4'''-azobis-

Structural Information

Molecular Formula
C26H18N2O4
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O
InChI
InChI=1S/C26H18N2O4/c29-25(30)21-5-1-17(2-6-21)19-9-13-23(14-10-19)27-28-24-15-11-20(12-16-24)18-3-7-22(8-4-18)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKey
QODCKSFTCDHBIO-UHFFFAOYSA-N
Compound name
4-[4-[[4-(4-carboxyphenyl)phenyl]diazenyl]phenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.12665 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.13393 200.9
[M+Na]+ 445.11587 205.9
[M-H]- 421.11937 213.4
[M+NH4]+ 440.16047 208.6
[M+K]+ 461.08981 200.9
[M+H-H2O]+ 405.12391 188.9
[M+HCOO]- 467.12485 224.4
[M+CH3COO]- 481.14050 232.1
[M+Na-2H]- 443.10132 203.3
[M]+ 422.12610 200.8
[M]- 422.12720 200.8
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.