CID 736609

2-[(chloroacetyl)amino]thiophene-3-carboxamide

Structural Information

Molecular Formula
C7H7ClN2O2S
SMILES
C1=CSC(=C1C(=O)N)NC(=O)CCl
InChI
InChI=1S/C7H7ClN2O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3H2,(H2,9,12)(H,10,11)
InChIKey
CLFJNLMGYISWMW-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.99167 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99895 145.1
[M+Na]+ 240.98089 153.4
[M+NH4]+ 236.02549 152.6
[M+K]+ 256.95483 148.8
[M-H]- 216.98439 146.1
[M+Na-2H]- 238.96634 148.4
[M]+ 217.99112 146.8
[M]- 217.99222 146.8
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

patents stripe