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]+ 204.02445 143.7
[M+Na]+ 226.00639 151.8
[M-H]- 202.00989 149.0
[M+NH4]+ 221.05099 166.3
[M+K]+ 241.98033 149.2
[M+H-H2O]+ 186.01443 138.6
[M+HCOO]- 248.01537 160.2
[M+CH3COO]- 262.03102 185.7
[M+Na-2H]- 223.99184 144.5
[M]+ 203.01662 148.5
[M]- 203.01772 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.