CID 68282926

4-bromo-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
C1CC(CCC1Br)(F)F
InChI
InChI=1S/C6H9BrF2/c7-5-1-3-6(8,9)4-2-5/h5H,1-4H2
InChIKey
SPBBBQOVOAUKEG-UHFFFAOYSA-N
Compound name
4-bromo-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

197.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.992846 134.2
[M+Na]+ 220.974788 145.0
[M-H]- 196.978294 137.9
[M+NH4]+ 216.019393 158.9
[M+K]+ 236.948728 134.8
[M+H-H2O]+ 180.982830 134.4
[M+HCOO]- 242.983771 151.1
[M+CH3COO]- 256.999421 180.4
[M+Na-2H]- 218.960236 141.0
[M]+ 197.98502142 146.1
[M]- 197.98611858 146.1
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