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: 6
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	140.1
[M+Na]+	258.91074	153.6
[M-H]-	234.91424	140.0
[M+NH4]+	253.95534	162.5
[M+K]+	274.88468	140.3
[M+H-H2O]+	218.91878	140.4
[M+HCOO]-	280.91972	151.7
[M+CH3COO]-	294.93537	186.0
[M+Na-2H]-	256.89619	147.5
[M]+	235.92097	155.6
[M]-	235.92207	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe