CID 21483726

2,5-dichlorophenyl chloroformate

Structural Information

Molecular Formula

C₇H₃Cl₃O₂

SMILES

C1=CC(=C(C=C1Cl)OC(=O)Cl)Cl

InChI

InChI=1S/C7H3Cl3O2/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3H

InChIKey

IWBVVKMRLNSDNC-UHFFFAOYSA-N

Compound name

(2,5-dichlorophenyl) carbonochloridate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.91986 Da
Monoisotopic Mass: 3.7
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]+	224.92714	138.1
[M+Na]+	246.90908	153.3
[M+NH4]+	241.95368	147.2
[M+K]+	262.88302	145.8
[M-H]-	222.91258	139.7
[M+Na-2H]-	244.89453	145.4
[M]+	223.91931	141.6
[M]-	223.92041	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe