CID 78318

Phenylmethanesulfonamide

Structural Information

Molecular Formula
C7H9NO2S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)N
InChI
InChI=1S/C7H9NO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)
InChIKey
ABOYDMHGKWRPFD-UHFFFAOYSA-N
Compound name
phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

16468
Patents

171.0354 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 132.5
[M+Na]+ 194.024618 140.9
[M-H]- 170.028124 136.1
[M+NH4]+ 189.069223 152.7
[M+K]+ 209.998558 138.0
[M+H-H2O]+ 154.032660 127.0
[M+HCOO]- 216.033601 152.0
[M+CH3COO]- 230.049251 175.9
[M+Na-2H]- 192.010066 138.3
[M]+ 171.03485142 132.9
[M]- 171.03594858 132.9
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