CID 105462559

(2-bromo-1-fluoroethyl)cyclohexane

Structural Information

Molecular Formula
C8H14BrF
SMILES
C1CCC(CC1)C(CBr)F
InChI
InChI=1S/C8H14BrF/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey
MGWBMJKXYGOFKG-UHFFFAOYSA-N
Compound name
(2-bromo-1-fluoroethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.02629 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03357 142.8
[M+Na]+ 231.01551 150.7
[M-H]- 207.01901 146.6
[M+NH4]+ 226.06011 164.8
[M+K]+ 246.98945 140.6
[M+H-H2O]+ 191.02355 142.4
[M+HCOO]- 253.02449 158.9
[M+CH3COO]- 267.04014 183.7
[M+Na-2H]- 229.00096 147.4
[M]+ 208.02574 155.0
[M]- 208.02684 155.0
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

No patent data available for this compound.