CID 81934305

1370601-11-8

Structural Information

Molecular Formula

C₈H₁₁BrF₂O

SMILES

C1CC(CCC1C(=O)CBr)(F)F

InChI

InChI=1S/C8H11BrF2O/c9-5-7(12)6-1-3-8(10,11)4-2-6/h6H,1-5H2

InChIKey

KEDIVRGYXYQZEK-UHFFFAOYSA-N

Compound name

2-bromo-1-(4,4-difluorocyclohexyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 239.99612 Da
Monoisotopic Mass: 2.6
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]+	241.00340	145.1
[M+Na]+	262.98534	155.0
[M-H]-	238.98884	148.4
[M+NH4]+	258.02994	167.9
[M+K]+	278.95928	144.5
[M+H-H2O]+	222.99338	144.9
[M+HCOO]-	284.99432	160.7
[M+CH3COO]-	299.00997	187.8
[M+Na-2H]-	260.97079	149.7
[M]+	239.99557	157.7
[M]-	239.99667	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe