CID 45792063

5-(2-chloroacetyl)thiophene-3-carboxamide

Structural Information

Molecular Formula
C7H6ClNO2S
SMILES
C1=C(SC=C1C(=O)N)C(=O)CCl
InChI
InChI=1S/C7H6ClNO2S/c8-2-5(10)6-1-4(3-12-6)7(9)11/h1,3H,2H2,(H2,9,11)
InChIKey
KGUQAJBLFNRQLC-UHFFFAOYSA-N
Compound name
5-(2-chloroacetyl)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.98077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.98805 141.0
[M+Na]+ 225.96999 150.0
[M-H]- 201.97349 144.9
[M+NH4]+ 221.01459 162.6
[M+K]+ 241.94393 146.1
[M+H-H2O]+ 185.97803 136.7
[M+HCOO]- 247.97897 156.1
[M+CH3COO]- 261.99462 182.3
[M+Na-2H]- 223.95544 140.5
[M]+ 202.98022 143.8
[M]- 202.98132 143.8
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.