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 134.2
[M+Na]+ 220.97479 145.0
[M-H]- 196.97829 137.9
[M+NH4]+ 216.01939 158.9
[M+K]+ 236.94873 134.8
[M+H-H2O]+ 180.98283 134.4
[M+HCOO]- 242.98377 151.1
[M+CH3COO]- 256.99942 180.4
[M+Na-2H]- 218.96024 141.0
[M]+ 197.98502 146.1
[M]- 197.98612 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

No patent data available for this compound.