CID 607009

2,6-difluorobenzotrichloride

Structural Information

Molecular Formula

C₇H₃Cl₃F₂

SMILES

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

InChI

InChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H

InChIKey

YGARWFJIRLUUNE-UHFFFAOYSA-N

Compound name

1,3-difluoro-2-(trichloromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 229.92683 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]+	230.93411	136.1
[M+Na]+	252.91605	147.7
[M-H]-	228.91955	136.0
[M+NH4]+	247.96065	155.8
[M+K]+	268.88999	141.4
[M+H-H2O]+	212.92409	131.9
[M+HCOO]-	274.92503	142.5
[M+CH3COO]-	288.94068	187.1
[M+Na-2H]-	250.90150	141.1
[M]+	229.92628	136.3
[M]-	229.92738	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe