CID 86185149

1-(bromomethyl)-1-fluorocyclohexane

Structural Information

Molecular Formula
C7H12BrF
SMILES
C1CCC(CC1)(CBr)F
InChI
InChI=1S/C7H12BrF/c8-6-7(9)4-2-1-3-5-7/h1-6H2
InChIKey
PXTZBNRAAFANNT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-fluorocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

194.01064 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.017916 135.8
[M+Na]+ 216.999858 145.3
[M-H]- 193.003364 140.3
[M+NH4]+ 212.044463 160.4
[M+K]+ 232.973798 135.3
[M+H-H2O]+ 177.007900 136.6
[M+HCOO]- 239.008841 153.4
[M+CH3COO]- 253.024491 179.7
[M+Na-2H]- 214.985306 143.3
[M]+ 194.01009142 148.8
[M]- 194.01118858 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe