CID 94028

Azobenzene-4-sulfonyl chloride

Structural Information

Molecular Formula
C12H9ClN2O2S
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C12H9ClN2O2S/c13-18(16,17)12-8-6-11(7-9-12)15-14-10-4-2-1-3-5-10/h1-9H
InChIKey
UEAZPVORQYDKHZ-UHFFFAOYSA-N
Compound name
4-phenyldiazenylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

280.00732 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01460 158.9
[M+Na]+ 302.99654 168.5
[M-H]- 279.00004 168.9
[M+NH4]+ 298.04114 176.8
[M+K]+ 318.97048 163.6
[M+H-H2O]+ 263.00458 151.8
[M+HCOO]- 325.00552 178.5
[M+CH3COO]- 339.02117 200.9
[M+Na-2H]- 300.98199 166.1
[M]+ 280.00677 164.3
[M]- 280.00787 164.3
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