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: 4805
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]+	128.950460	115.2
[M+Na]+	150.932402	125.3
[M-H]-	126.935908	115.6
[M+NH4]+	145.977007	138.6
[M+K]+	166.906342	123.0
[M+H-H2O]+	110.940444	113.4
[M+HCOO]-	172.941385	130.5
[M+CH3COO]-	186.957035	167.3
[M+Na-2H]-	148.917850	122.2
[M]+	127.94263542	119.0
[M]-	127.94373258	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe