CID 24703057

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

Structural Information

Molecular Formula
C10H12ClNOS
SMILES
CC(C(=O)NC1=CC(=CC=C1)SC)Cl
InChI
InChI=1S/C10H12ClNOS/c1-7(11)10(13)12-8-4-3-5-9(6-8)14-2/h3-7H,1-2H3,(H,12,13)
InChIKey
MNUYFLFMKCNQQM-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methylsulfanylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04008 147.1
[M+Na]+ 252.02202 154.6
[M-H]- 228.02552 151.0
[M+NH4]+ 247.06662 166.4
[M+K]+ 267.99596 150.4
[M+H-H2O]+ 212.03006 142.1
[M+HCOO]- 274.03100 160.8
[M+CH3COO]- 288.04665 190.0
[M+Na-2H]- 250.00747 148.5
[M]+ 229.03225 150.5
[M]- 229.03335 150.5
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.