CID 80843

C.i. mordant yellow 27, disodium salt

Structural Information

Molecular Formula
C14H12N2O6S
SMILES
CC1=CC(=CC(=C1O)C(=O)O)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C14H12N2O6S/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22/h2-7,17H,1H3,(H,18,19)(H,20,21,22)
InChIKey
AXLUERWVJUUODD-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methyl-5-[(4-sulfophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

336.0416 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.04888 171.2
[M+Na]+ 359.03082 179.0
[M-H]- 335.03432 177.4
[M+NH4]+ 354.07542 183.7
[M+K]+ 375.00476 175.6
[M+H-H2O]+ 319.03886 163.5
[M+HCOO]- 381.03980 189.9
[M+CH3COO]- 395.05545 209.0
[M+Na-2H]- 357.01627 174.9
[M]+ 336.04105 175.1
[M]- 336.04215 175.1
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.