CID 1805993

2-chloro-n-(2-thienylmethyl)acetamide

Structural Information

Molecular Formula
C7H8ClNOS
SMILES
C1=CSC(=C1)CNC(=O)CCl
InChI
InChI=1S/C7H8ClNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
QCBIGIIQNNEGTC-UHFFFAOYSA-N
Compound name
2-chloro-N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.00151 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.00879 138.7
[M+Na]+ 211.99073 147.1
[M-H]- 187.99423 142.7
[M+NH4]+ 207.03533 161.2
[M+K]+ 227.96467 143.4
[M+H-H2O]+ 171.99877 134.1
[M+HCOO]- 233.99971 155.1
[M+CH3COO]- 248.01536 179.2
[M+Na-2H]- 209.97618 140.8
[M]+ 189.00096 141.9
[M]- 189.00206 141.9
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.