CID 15276

P-phenylazobenzoic acid

Structural Information

Molecular Formula
C13H10N2O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H10N2O2/c16-13(17)10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,(H,16,17)
InChIKey
CSPTZWQFHBVOLO-UHFFFAOYSA-N
Compound name
4-phenyldiazenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

687
Patents

226.07423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 147.3
[M+Na]+ 249.06345 154.2
[M-H]- 225.06695 155.6
[M+NH4]+ 244.10805 165.0
[M+K]+ 265.03739 151.8
[M+H-H2O]+ 209.07149 139.2
[M+HCOO]- 271.07243 175.4
[M+CH3COO]- 285.08808 195.2
[M+Na-2H]- 247.04890 155.2
[M]+ 226.07368 147.6
[M]- 226.07478 147.6
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