CID 5017140

4-phenylbenzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

543
Patents

233.05106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.058336 148.7
[M+Na]+ 256.040278 157.4
[M-H]- 232.043784 155.5
[M+NH4]+ 251.084883 166.4
[M+K]+ 272.014218 152.7
[M+H-H2O]+ 216.048320 142.0
[M+HCOO]- 278.049261 168.3
[M+CH3COO]- 292.064911 188.0
[M+Na-2H]- 254.025726 154.2
[M]+ 233.05051142 148.9
[M]- 233.05160858 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