CID 365387

Nsc633000

Structural Information

Molecular Formula
C14H13NO2S
SMILES
CC(=O)NC1=CC=CC=C1S(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO2S/c1-11(16)15-13-9-5-6-10-14(13)18(17)12-7-3-2-4-8-12/h2-10H,1H3,(H,15,16)
InChIKey
FOTCKOVKDZSJGX-UHFFFAOYSA-N
Compound name
N-[2-(benzenesulfinyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07398 156.5
[M+Na]+ 282.05592 163.3
[M-H]- 258.05942 163.4
[M+NH4]+ 277.10052 173.1
[M+K]+ 298.02986 159.2
[M+H-H2O]+ 242.06396 149.1
[M+HCOO]- 304.06490 175.5
[M+CH3COO]- 318.08055 195.3
[M+Na-2H]- 280.04137 159.1
[M]+ 259.06615 157.6
[M]- 259.06725 157.6
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.