CID 4184068

2-chlorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₄Cl₂O₂

SMILES

C1=CC=C(C(=C1)OC(=O)Cl)Cl

InChI

InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4-6(5)11-7(9)10/h1-4H

InChIKey

PENYBFRQSLVMLW-UHFFFAOYSA-N

Compound name

(2-chlorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 189.95883 Da
Monoisotopic Mass: 3.2
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]+	190.966106	130.4
[M+Na]+	212.948048	140.9
[M-H]-	188.951554	134.0
[M+NH4]+	207.992653	151.5
[M+K]+	228.921988	136.9
[M+H-H2O]+	172.956090	127.1
[M+HCOO]-	234.957031	145.7
[M+CH3COO]-	248.972681	178.5
[M+Na-2H]-	210.933496	136.8
[M]+	189.95828142	134.5
[M]-	189.95937858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe