CID 606399

707-72-2

Structural Information

Molecular Formula

C₈H₅Cl₂F₃

SMILES

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

InChI

InChI=1S/C8H5Cl2F3/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H

InChIKey

JIJFXGFHPXLJME-UHFFFAOYSA-N

Compound name

1-(dichloromethyl)-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 227.97205 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]+	228.97933	136.3
[M+Na]+	250.96127	146.7
[M-H]-	226.96477	135.8
[M+NH4]+	246.00587	155.9
[M+K]+	266.93521	141.0
[M+H-H2O]+	210.96931	130.4
[M+HCOO]-	272.97025	146.0
[M+CH3COO]-	286.98590	186.9
[M+Na-2H]-	248.94672	141.0
[M]+	227.97150	134.8
[M]-	227.97260	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe