CID 82108

2,5-dibromobenzotrifluoride

Structural Information

Molecular Formula

C₇H₃Br₂F₃

SMILES

C1=CC(=C(C=C1Br)C(F)(F)F)Br

InChI

InChI=1S/C7H3Br2F3/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

InChIKey

VWKFJAOCLPPQGR-UHFFFAOYSA-N

Compound name

1,4-dibromo-2-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 122
Patents: 301.85535 Da
Monoisotopic Mass: 4.2
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]+	302.86263	159.7
[M+Na]+	324.84457	154.8
[M+NH4]+	319.88917	160.9
[M+K]+	340.81851	159.7
[M-H]-	300.84807	158.1
[M+Na-2H]-	322.83002	159.9
[M]+	301.85480	157.5
[M]-	301.85590	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe