CID 126970277

2-bromo-4,4-difluorocyclohexan-1-one

Structural Information

Molecular Formula
C6H7BrF2O
SMILES
C1CC(CC(C1=O)Br)(F)F
InChI
InChI=1S/C6H7BrF2O/c7-4-3-6(8,9)2-1-5(4)10/h4H,1-3H2
InChIKey
JDECVWOYTPHXMO-UHFFFAOYSA-N
Compound name
2-bromo-4,4-difluorocyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

211.96483 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97211 134.2
[M+Na]+ 234.95405 146.0
[M-H]- 210.95755 138.2
[M+NH4]+ 229.99865 158.5
[M+K]+ 250.92799 135.7
[M+H-H2O]+ 194.96209 134.5
[M+HCOO]- 256.96303 151.5
[M+CH3COO]- 270.97868 182.4
[M+Na-2H]- 232.93950 140.5
[M]+ 211.96428 147.1
[M]- 211.96538 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe