CID 155821240

3-bromo-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1CC(CC(C1)(F)F)Br
InChI
InChI=1S/C6H9BrF2/c7-5-2-1-3-6(8,9)4-5/h5H,1-4H2
InChIKey
YHYYVGIGSMDFKV-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99285 141.5
[M+Na]+ 220.97479 142.7
[M+NH4]+ 216.01939 147.5
[M+K]+ 236.94873 140.5
[M-H]- 196.97829 140.0
[M+Na-2H]- 218.96024 144.1
[M]+ 197.98502 140.1
[M]- 197.98612 140.1
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

No patent data available for this compound.