CID 7131305

871909-81-8

Structural Information

Molecular Formula

C₈H₉ClN₂O₂S

SMILES

C1=CSC(=C1)CNC(=O)NC(=O)CCl

InChI

InChI=1S/C8H9ClN2O2S/c9-4-7(12)11-8(13)10-5-6-2-1-3-14-6/h1-3H,4-5H2,(H2,10,11,12,13)

InChIKey

GFTJVDPPLMXOTB-UHFFFAOYSA-N

Compound name

2-chloro-N-(thiophen-2-ylmethylcarbamoyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 232.00732 Da
Monoisotopic Mass: 1.5
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]+	233.014596	150.2
[M+Na]+	254.996538	157.1
[M-H]-	231.000044	154.0
[M+NH4]+	250.041143	170.4
[M+K]+	270.970478	153.4
[M+H-H2O]+	215.004580	144.8
[M+HCOO]-	277.005521	166.6
[M+CH3COO]-	291.021171	187.7
[M+Na-2H]-	252.981986	151.3
[M]+	232.00677142	152.9
[M]-	232.00786858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe