CID 3768052

2-chloro-n-{2-[(cyanomethyl)sulfanyl]phenyl}acetamide

Structural Information

Molecular Formula
C10H9ClN2OS
SMILES
C1=CC=C(C(=C1)NC(=O)CCl)SCC#N
InChI
InChI=1S/C10H9ClN2OS/c11-7-10(14)13-8-3-1-2-4-9(8)15-6-5-12/h1-4H,6-7H2,(H,13,14)
InChIKey
PSQPTDYINCRYJB-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01968 146.7
[M+Na]+ 263.00162 158.0
[M+NH4]+ 258.04622 151.9
[M+K]+ 278.97556 146.7
[M-H]- 239.00512 142.0
[M+Na-2H]- 260.98707 150.4
[M]+ 240.01185 146.8
[M]- 240.01295 146.8
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.