CID 173883

Chlorophenylchlorodifluoromethane

Structural Information

Molecular Formula

C₇H₄Cl₂F₂

SMILES

C1=CC=C(C(=C1)C(F)(F)Cl)Cl

InChI

InChI=1S/C7H4Cl2F2/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey

FCGQDPUGIJTUNJ-UHFFFAOYSA-N

Compound name

1-chloro-2-[chloro(difluoro)methyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 195.9658 Da
Monoisotopic Mass: 3.8
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]+	196.97308	130.2
[M+Na]+	218.95502	141.1
[M-H]-	194.95852	131.0
[M+NH4]+	213.99962	151.1
[M+K]+	234.92896	135.7
[M+H-H2O]+	178.96306	125.3
[M+HCOO]-	240.96400	142.1
[M+CH3COO]-	254.97965	181.1
[M+Na-2H]-	216.94047	137.1
[M]+	195.96525	130.1
[M]-	195.96635	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe