CID 459850

5-(o-tolylazo)salicylic acid

Structural Information

Molecular Formula
C14H12N2O3
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C14H12N2O3/c1-9-4-2-3-5-12(9)16-15-10-6-7-13(17)11(8-10)14(18)19/h2-8,17H,1H3,(H,18,19)
InChIKey
QYXYXBNYKAPGIR-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(2-methylphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08478 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.