CID 365390

Nsc633003

Structural Information

Molecular Formula
C14H13NO3S
SMILES
CC(=O)NC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO3S/c1-11(16)15-13-9-5-6-10-14(13)19(17,18)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
InChIKey
IOEWYEHFITYJJM-UHFFFAOYSA-N
Compound name
N-[2-(benzenesulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

275.0616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06888 160.0
[M+Na]+ 298.05082 167.5
[M-H]- 274.05432 167.0
[M+NH4]+ 293.09542 175.9
[M+K]+ 314.02476 163.3
[M+H-H2O]+ 258.05886 152.7
[M+HCOO]- 320.05980 178.8
[M+CH3COO]- 334.07545 196.1
[M+Na-2H]- 296.03627 164.6
[M]+ 275.06105 161.8
[M]- 275.06215 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.