CID 62754

Chloromethyl chloroformate

Structural Information

Molecular Formula

C₂H₂Cl₂O₂

SMILES

C(OC(=O)Cl)Cl

InChI

InChI=1S/C2H2Cl2O2/c3-1-6-2(4)5/h1H2

InChIKey

JYWJULGYGOLCGW-UHFFFAOYSA-N

Compound name

chloromethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4650
Patents: 127.943184 Da
Monoisotopic Mass: 1.9
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]+	128.95046	115.5
[M+Na]+	150.93240	127.9
[M+NH4]+	145.97701	124.3
[M+K]+	166.90634	122.3
[M-H]-	126.93591	114.7
[M+Na-2H]-	148.91785	120.6
[M]+	127.94264	117.4
[M]-	127.94373	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe