CID 122164301

2-(bromomethyl)-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
C1CCC(C(C1)CBr)(F)F
InChI
InChI=1S/C7H11BrF2/c8-5-6-3-1-2-4-7(6,9)10/h6H,1-5H2
InChIKey
IXSXZXFUCMDQMV-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

212.00122 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 145.9
[M+Na]+ 234.99044 146.9
[M+NH4]+ 230.03504 151.7
[M+K]+ 250.96438 144.4
[M-H]- 210.99394 144.4
[M+Na-2H]- 232.97589 148.2
[M]+ 212.00067 144.4
[M]- 212.00177 144.4
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