CID 13292923

(3-chlorophenyl)methyl chloroformate

Structural Information

Molecular Formula

C₈H₆Cl₂O₂

SMILES

C1=CC(=CC(=C1)Cl)COC(=O)Cl

InChI

InChI=1S/C8H6Cl2O2/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2

InChIKey

ABNOKJAUAHDRQI-UHFFFAOYSA-N

Compound name

(3-chlorophenyl)methyl carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 203.97449 Da
Monoisotopic Mass: 3.9
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]+	204.98177	135.9
[M+Na]+	226.96371	150.5
[M+NH4]+	222.00831	145.1
[M+K]+	242.93765	143.1
[M-H]-	202.96721	137.8
[M+Na-2H]-	224.94916	143.5
[M]+	203.97394	139.1
[M]-	203.97504	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe