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]+ 241.019676 155.1
[M+Na]+ 263.001618 165.3
[M-H]- 239.005124 159.0
[M+NH4]+ 258.046223 172.2
[M+K]+ 278.975558 160.2
[M+H-H2O]+ 223.009660 143.6
[M+HCOO]- 285.010601 166.9
[M+CH3COO]- 299.026251 201.6
[M+Na-2H]- 260.987066 157.2
[M]+ 240.01185142 153.7
[M]- 240.01294858 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.