CID 78528

2-bromoethyl chloroformate

Structural Information

Molecular Formula

C₃H₄BrClO₂

SMILES

C(CBr)OC(=O)Cl

InChI

InChI=1S/C3H4BrClO2/c4-1-2-7-3(5)6/h1-2H2

InChIKey

ZLCKDYMZBZNBMJ-UHFFFAOYSA-N

Compound name

2-bromoethyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 543
Patents: 185.90833 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]+	186.91561	126.4
[M+Na]+	208.89755	128.9
[M+NH4]+	203.94215	131.2
[M+K]+	224.87149	129.5
[M-H]-	184.90105	124.5
[M+Na-2H]-	206.88300	128.1
[M]+	185.90778	125.1
[M]-	185.90888	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe