CID 79933

Acid chrome brown g

Structural Information

Molecular Formula
C19H13N5O8S
SMILES
C1=CC(=CC=C1N=NC2=CC(=CC(=C2O)C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C19H13N5O8S/c25-18-16(19(26)27)9-13(22-20-12-3-7-15(8-4-12)33(30,31)32)10-17(18)23-21-11-1-5-14(6-2-11)24(28)29/h1-10,25H,(H,26,27)(H,30,31,32)
InChIKey
MRNBDIGPVRKDOB-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[(4-nitrophenyl)diazenyl]-5-[(4-sulfophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.0485 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.05578 199.3
[M+Na]+ 494.03772 202.5
[M-H]- 470.04122 210.1
[M+NH4]+ 489.08232 204.5
[M+K]+ 510.01166 195.9
[M+H-H2O]+ 454.04576 192.1
[M+HCOO]- 516.04670 222.6
[M+CH3COO]- 530.06235 235.4
[M+Na-2H]- 492.02317 208.6
[M]+ 471.04795 201.2
[M]- 471.04905 201.2
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.