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 155.1
[M+Na]+ 263.00162 165.3
[M-H]- 239.00512 159.0
[M+NH4]+ 258.04622 172.2
[M+K]+ 278.97556 160.2
[M+H-H2O]+ 223.00966 143.6
[M+HCOO]- 285.01060 166.9
[M+CH3COO]- 299.02625 201.6
[M+Na-2H]- 260.98707 157.2
[M]+ 240.01185 153.7
[M]- 240.01295 153.7
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.