CID 459044

M-(3-chloro-4-hydroxyphenylazo)benzoic acid

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC(=CC(=C1)N=NC2=CC(=C(C=C2)O)Cl)C(=O)O
InChI
InChI=1S/C13H9ClN2O3/c14-11-7-10(4-5-12(11)17)16-15-9-3-1-2-8(6-9)13(18)19/h1-7,17H,(H,18,19)
InChIKey
WQRGFCJDYADDFP-UHFFFAOYSA-N
Compound name
3-[(3-chloro-4-hydroxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03018 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 157.5
[M+Na]+ 299.01940 166.6
[M-H]- 275.02290 165.0
[M+NH4]+ 294.06400 174.0
[M+K]+ 314.99334 162.2
[M+H-H2O]+ 259.02744 150.7
[M+HCOO]- 321.02838 179.8
[M+CH3COO]- 335.04403 201.0
[M+Na-2H]- 297.00485 163.1
[M]+ 276.02963 160.6
[M]- 276.03073 160.6
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.