CID 541927

2,2-dichlorocyclopropane-1-carboxamide

Structural Information

Molecular Formula

C₄H₅Cl₂NO

SMILES

C1C(C1(Cl)Cl)C(=O)N

InChI

InChI=1S/C4H5Cl2NO/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H2,7,8)

InChIKey

POUMCBWMYUEVKF-UHFFFAOYSA-N

Compound name

2,2-dichlorocyclopropane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 152.97482 Da
Monoisotopic Mass: 0.4
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]+	153.98210	121.3
[M+Na]+	175.96404	132.4
[M-H]-	151.96754	125.2
[M+NH4]+	171.00864	140.0
[M+K]+	191.93798	128.4
[M+H-H2O]+	135.97208	119.2
[M+HCOO]-	197.97302	136.2
[M+CH3COO]-	211.98867	178.6
[M+Na-2H]-	173.94949	127.3
[M]+	152.97427	124.4
[M]-	152.97537	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe