CID 448619

2-((3'-methyl-4'-hydroxyphenyl)azo)benzoic acid

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=CC=C2C(=O)O)O
InChI
InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)
InChIKey
SBSCJWJICRGLIV-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-3-methylphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

256.08478 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 155.2
[M+Na]+ 279.07400 163.0
[M-H]- 255.07750 162.7
[M+NH4]+ 274.11860 171.5
[M+K]+ 295.04794 160.2
[M+H-H2O]+ 239.08204 147.3
[M+HCOO]- 301.08298 181.7
[M+CH3COO]- 315.09863 200.3
[M+Na-2H]- 277.05945 160.7
[M]+ 256.08423 156.2
[M]- 256.08533 156.2
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