CID 2736242

356-73-0

Structural Information

Molecular Formula

C₅H₅BrClF₃

SMILES

CC=CC(C(F)(F)Br)(F)Cl

InChI

InChI=1S/C5H5BrClF3/c1-2-3-4(7,8)5(6,9)10/h2-3H,1H3

InChIKey

QQVDBKBIOLTXSK-UHFFFAOYSA-N

Compound name

5-bromo-4-chloro-4,5,5-trifluoropent-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.92152 Da
Monoisotopic Mass: 3.5
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]+	236.92880	150.4
[M+Na]+	258.91074	150.8
[M+NH4]+	253.95534	153.1
[M+K]+	274.88468	150.6
[M-H]-	234.91424	144.6
[M+Na-2H]-	256.89619	149.8
[M]+	235.92097	147.8
[M]-	235.92207	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe