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: 779
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	122.3
[M+Na]+	180.94297	132.1
[M-H]-	156.94647	122.6
[M+NH4]+	175.98757	144.6
[M+K]+	196.91691	130.1
[M+H-H2O]+	140.95101	120.2
[M+HCOO]-	202.95195	137.6
[M+CH3COO]-	216.96760	171.6
[M+Na-2H]-	178.92842	128.9
[M]+	157.95320	127.9
[M]-	157.95430	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe