CID 575690

176041-73-9

Structural Information

Molecular Formula

C₄H₃Cl₂NO

SMILES

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

InChI

InChI=1S/C4H3Cl2NO/c5-4(6)1-3(4)7-2-8/h3H,1H2

InChIKey

NPEUVAMEAPSJEM-UHFFFAOYSA-N

Compound name

1,1-dichloro-2-isocyanatocyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.95917 Da
Monoisotopic Mass: 2.3
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]+	151.96645	123.0
[M+Na]+	173.94839	135.0
[M-H]-	149.95189	128.7
[M+NH4]+	168.99299	142.7
[M+K]+	189.92233	131.4
[M+H-H2O]+	133.95643	120.2
[M+HCOO]-	195.95737	140.8
[M+CH3COO]-	209.97302	179.5
[M+Na-2H]-	171.93384	131.3
[M]+	150.95862	128.5
[M]-	150.95972	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe