CID 84733221

1-(bromomethyl)-3-fluorocyclohexane

Structural Information

Molecular Formula
C7H12BrF
SMILES
C1CC(CC(C1)F)CBr
InChI
InChI=1S/C7H12BrF/c8-5-6-2-1-3-7(9)4-6/h6-7H,1-5H2
InChIKey
YBOJATNYGODPGI-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-fluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.01064 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.017916 136.7
[M+Na]+ 216.999858 146.2
[M-H]- 193.003364 141.1
[M+NH4]+ 212.044463 159.7
[M+K]+ 232.973798 135.9
[M+H-H2O]+ 177.007900 136.7
[M+HCOO]- 239.008841 154.2
[M+CH3COO]- 253.024491 181.1
[M+Na-2H]- 214.985306 142.5
[M]+ 194.01009142 149.6
[M]- 194.01118858 149.6
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