CID 117940

27152-80-3

Structural Information

Molecular Formula
C13H12N4O5S
SMILES
C1=CC(=CC=C1NCS(=O)(=O)O)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O5S/c18-17(19)13-7-5-12(6-8-13)16-15-11-3-1-10(2-4-11)14-9-23(20,21)22/h1-8,14H,9H2,(H,20,21,22)
InChIKey
CFOZQMMNOVMXJK-UHFFFAOYSA-N
Compound name
[4-[(4-nitrophenyl)diazenyl]anilino]methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.05283 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06011 167.7
[M+Na]+ 359.04205 178.1
[M+NH4]+ 354.08665 173.3
[M+K]+ 375.01599 174.3
[M-H]- 335.04555 172.6
[M+Na-2H]- 357.02750 175.5
[M]+ 336.05228 170.5
[M]- 336.05338 170.5
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

patents stripe