CID 272696

1514-82-5

Structural Information

Molecular Formula

SMILES

C=C(C(F)(F)F)Br

InChI

InChI=1S/C3H2BrF3/c1-2(4)3(5,6)7/h1H2

InChIKey

QKBKGNDTLQFSEU-UHFFFAOYSA-N

Compound name

2-bromo-3,3,3-trifluoroprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 1898
Patents: 173.9292 Da
Monoisotopic Mass: 2.4
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]+	174.93648	126.3
[M+Na]+	196.91842	138.9
[M-H]-	172.92192	126.3
[M+NH4]+	191.96302	150.0
[M+K]+	212.89236	128.5
[M+H-H2O]+	156.92646	125.8
[M+HCOO]-	218.92740	143.3
[M+CH3COO]-	232.94305	177.1
[M+Na-2H]-	194.90387	133.3
[M]+	173.92865	139.3
[M]-	173.92975	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe