CID 77956

Benzenamine, 2-(phenylsulfonyl)-

Structural Information

Molecular Formula
C12H11NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N
InChI
InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2
InChIKey
JBCUKQQIWSWEOK-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1344
Patents

233.05106 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.05834 148.7
[M+Na]+ 256.04028 157.4
[M-H]- 232.04378 155.5
[M+NH4]+ 251.08488 166.4
[M+K]+ 272.01422 152.7
[M+H-H2O]+ 216.04832 142.0
[M+HCOO]- 278.04926 168.3
[M+CH3COO]- 292.06491 188.0
[M+Na-2H]- 254.02573 154.2
[M]+ 233.05051 148.9
[M]- 233.05161 148.9
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