CID 14695239

128073-31-4

Structural Information

Molecular Formula

C₆H₇BrF₂O

SMILES

CC1(CC1(F)F)C(=O)CBr

InChI

InChI=1S/C6H7BrF2O/c1-5(4(10)2-7)3-6(5,8)9/h2-3H2,1H3

InChIKey

BZRNEASAKFDGKW-UHFFFAOYSA-N

Compound name

2-bromo-1-(2,2-difluoro-1-methylcyclopropyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 211.96483 Da
Monoisotopic Mass: 1.9
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]+	212.97211	132.5
[M+Na]+	234.95405	147.0
[M-H]-	210.95755	138.2
[M+NH4]+	229.99865	153.9
[M+K]+	250.92799	137.4
[M+H-H2O]+	194.96209	133.5
[M+HCOO]-	256.96303	151.1
[M+CH3COO]-	270.97868	187.1
[M+Na-2H]-	232.93950	140.4
[M]+	211.96428	151.7
[M]-	211.96538	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe