CID 17210

Benzenesulfonic acid, 4-(phenylazo)-

Structural Information

Molecular Formula
C12H10N2O3S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C12H10N2O3S/c15-18(16,17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
InChIKey
AJMNDPOSKIBVGX-UHFFFAOYSA-N
Compound name
4-phenyldiazenylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

286
Patents

262.0412 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.048476 154.7
[M+Na]+ 285.030418 163.0
[M-H]- 261.033924 163.2
[M+NH4]+ 280.075023 171.6
[M+K]+ 301.004358 159.4
[M+H-H2O]+ 245.038460 146.9
[M+HCOO]- 307.039401 177.6
[M+CH3COO]- 321.055051 196.8
[M+Na-2H]- 283.015866 162.3
[M]+ 262.04065142 157.5
[M]- 262.04174858 157.5
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