CID 18924586

Dichloro(isocyanato)methane

Structural Information

Molecular Formula

SMILES

C(=NC(Cl)Cl)=O

InChI

InChI=1S/C2HCl2NO/c3-2(4)5-1-6/h2H

InChIKey

IHYCPZZPMNGWLF-UHFFFAOYSA-N

Compound name

dichloro(isocyanato)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 124.94352 Da
Monoisotopic Mass: 2.4
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]+	125.95080	116.8
[M+Na]+	147.93274	126.7
[M-H]-	123.93624	118.4
[M+NH4]+	142.97734	140.5
[M+K]+	163.90668	124.2
[M+H-H2O]+	107.94078	114.4
[M+HCOO]-	169.94172	134.3
[M+CH3COO]-	183.95737	171.7
[M+Na-2H]-	145.91819	124.2
[M]+	124.94297	119.5
[M]-	124.94407	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe