CID 2543182

2-chloro-n-methyl-n-(thien-2-ylmethyl)acetamide

Structural Information

Molecular Formula
C8H10ClNOS
SMILES
CN(CC1=CC=CS1)C(=O)CCl
InChI
InChI=1S/C8H10ClNOS/c1-10(8(11)5-9)6-7-3-2-4-12-7/h2-4H,5-6H2,1H3
InChIKey
WHLFGXOMONJIPJ-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.01717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.024446 143.7
[M+Na]+ 226.006388 151.8
[M-H]- 202.009894 149.0
[M+NH4]+ 221.050993 166.3
[M+K]+ 241.980328 149.2
[M+H-H2O]+ 186.014430 138.6
[M+HCOO]- 248.015371 160.2
[M+CH3COO]- 262.031021 185.7
[M+Na-2H]- 223.991836 144.5
[M]+ 203.01662142 148.5
[M]- 203.01771858 148.5
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.