CID 736609

610274-69-6

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.99895	145.2
[M+Na]+	240.98089	153.2
[M-H]-	216.98439	148.9
[M+NH4]+	236.02549	165.8
[M+K]+	256.95483	149.3
[M+H-H2O]+	200.98893	140.3
[M+HCOO]-	262.98987	161.2
[M+CH3COO]-	277.00552	186.6
[M+Na-2H]-	238.96634	145.2
[M]+	217.99112	147.1
[M]-	217.99222	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe