CID 139059

4-chlorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₄Cl₂O₂

SMILES

C1=CC(=CC=C1OC(=O)Cl)Cl

InChI

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

InChIKey

RYWGPCLTVXMMHO-UHFFFAOYSA-N

Compound name

(4-chlorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1472
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]+	190.96611	130.4
[M+Na]+	212.94805	140.9
[M-H]-	188.95155	134.0
[M+NH4]+	207.99265	151.5
[M+K]+	228.92199	136.9
[M+H-H2O]+	172.95609	127.1
[M+HCOO]-	234.95703	145.7
[M+CH3COO]-	248.97268	178.5
[M+Na-2H]-	210.93350	136.8
[M]+	189.95828	134.5
[M]-	189.95938	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe