CID 2756722

Bis(chloromethyl) carbonate

Structural Information

Molecular Formula

C₃H₄Cl₂O₃

SMILES

C(OC(=O)OCCl)Cl

InChI

InChI=1S/C3H4Cl2O3/c4-1-7-3(6)8-2-5/h1-2H2

InChIKey

KVUDZUPUUSUAAJ-UHFFFAOYSA-N

Compound name

bis(chloromethyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 486
Patents: 157.95375 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]+	158.96103	122.5
[M+Na]+	180.94297	134.3
[M+NH4]+	175.98757	130.6
[M+K]+	196.91691	129.0
[M-H]-	156.94647	121.2
[M+Na-2H]-	178.92842	127.0
[M]+	157.95320	124.2
[M]-	157.95430	124.2

Literature stripe

literature stripe

Patent stripe

patents stripe