CID 17126928

3-chloro-n-[2-(methylthio)phenyl]propanamide

Structural Information

Molecular Formula
C10H12ClNOS
SMILES
CSC1=CC=CC=C1NC(=O)CCCl
InChI
InChI=1S/C10H12ClNOS/c1-14-9-5-3-2-4-8(9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
GVBUGAFESKFYMX-UHFFFAOYSA-N
Compound name
3-chloro-N-(2-methylsulfanylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04008 148.5
[M+Na]+ 252.02202 160.7
[M+NH4]+ 247.06662 157.6
[M+K]+ 267.99596 151.4
[M-H]- 228.02552 151.4
[M+Na-2H]- 250.00747 154.7
[M]+ 229.03225 151.8
[M]- 229.03335 151.8
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.