CID 53350361

4-(bromomethyl)-1,1-difluorocyclohexane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
C1CC(CCC1CBr)(F)F
InChI
InChI=1S/C7H11BrF2/c8-5-6-1-3-7(9,10)4-2-6/h6H,1-5H2
InChIKey
VVBAHFKQTKRMAS-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1,1-difluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

212.00122 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 138.8
[M+Na]+ 234.99044 149.2
[M-H]- 210.99394 142.3
[M+NH4]+ 230.03504 162.9
[M+K]+ 250.96438 138.7
[M+H-H2O]+ 194.99848 138.8
[M+HCOO]- 256.99942 155.4
[M+CH3COO]- 271.01507 183.2
[M+Na-2H]- 232.97589 145.1
[M]+ 212.00067 151.0
[M]- 212.00177 151.0
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