CID 2799648

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

Structural Information

Molecular Formula
C9H10ClNOS
SMILES
CSC1=CC=CC(=C1)NC(=O)CCl
InChI
InChI=1S/C9H10ClNOS/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
MVHJOIYPKBFDCH-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-methylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.01717 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02445 142.6
[M+Na]+ 238.00639 150.9
[M-H]- 214.00989 146.6
[M+NH4]+ 233.05099 162.5
[M+K]+ 253.98033 146.3
[M+H-H2O]+ 198.01443 137.7
[M+HCOO]- 260.01537 157.6
[M+CH3COO]- 274.03102 186.2
[M+Na-2H]- 235.99184 145.6
[M]+ 215.01662 146.2
[M]- 215.01772 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe