CID 50987728

2-chloro-n-[(5-methylthiophen-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CC1=CC=C(S1)CNC(=O)CCl
InChI
InChI=1S/C8H10ClNOS/c1-6-2-3-7(12-6)5-10-8(11)4-9/h2-3H,4-5H2,1H3,(H,10,11)
InChIKey
PDPMCFVSTNUZEP-UHFFFAOYSA-N
Compound name
2-chloro-N-[(5-methylthiophen-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.024446 142.8
[M+Na]+ 226.006388 151.7
[M-H]- 202.009894 147.0
[M+NH4]+ 221.050993 165.1
[M+K]+ 241.980328 147.6
[M+H-H2O]+ 186.014430 138.3
[M+HCOO]- 248.015371 158.8
[M+CH3COO]- 262.031021 183.3
[M+Na-2H]- 223.991836 143.8
[M]+ 203.01662142 146.7
[M]- 203.01771858 146.7
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.