CID 12305

2-chloroethyl chloroformate

Structural Information

Molecular Formula

C₃H₄Cl₂O₂

SMILES

C(CCl)OC(=O)Cl

InChI

InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2

InChIKey

SVDDJQGVOFZBNX-UHFFFAOYSA-N

Compound name

2-chloroethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 4837
Patents: 141.95883 Da
Monoisotopic Mass: 1.8
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]+	142.96611	119.9
[M+Na]+	164.94805	129.6
[M-H]-	140.95155	120.1
[M+NH4]+	159.99265	142.8
[M+K]+	180.92199	127.1
[M+H-H2O]+	124.95609	117.9
[M+HCOO]-	186.95703	134.9
[M+CH3COO]-	200.97268	170.3
[M+Na-2H]-	162.93350	126.4
[M]+	141.95828	124.1
[M]-	141.95938	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe