CID 459045

2-[(e)-(4-acetoxy-3-chloro-phenyl)azo]benzoic acid

Structural Information

Molecular Formula
C15H11ClN2O4
SMILES
CC(=O)OC1=C(C=C(C=C1)N=NC2=CC=CC=C2C(=O)O)Cl
InChI
InChI=1S/C15H11ClN2O4/c1-9(19)22-14-7-6-10(8-12(14)16)17-18-13-5-3-2-4-11(13)15(20)21/h2-8H,1H3,(H,20,21)
InChIKey
GVTADVQGYVFUEM-UHFFFAOYSA-N
Compound name
2-[(4-acetyloxy-3-chlorophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04802 168.3
[M+Na]+ 341.02996 176.8
[M-H]- 317.03346 177.0
[M+NH4]+ 336.07456 183.5
[M+K]+ 357.00390 173.5
[M+H-H2O]+ 301.03800 160.8
[M+HCOO]- 363.03894 190.8
[M+CH3COO]- 377.05459 211.0
[M+Na-2H]- 339.01541 172.2
[M]+ 318.04019 174.0
[M]- 318.04129 174.0
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.