CID 145915546

2402828-67-3

Structural Information

Molecular Formula
C9H14BrFO2
SMILES
COC(=O)C1CCC(CC1)(CBr)F
InChI
InChI=1S/C9H14BrFO2/c1-13-8(12)7-2-4-9(11,6-10)5-3-7/h7H,2-6H2,1H3
InChIKey
SZLVFHIUAZVWNW-UHFFFAOYSA-N
Compound name
methyl 4-(bromomethyl)-4-fluorocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01611 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.023386 148.4
[M+Na]+ 275.005328 157.9
[M-H]- 251.008834 152.8
[M+NH4]+ 270.049933 170.9
[M+K]+ 290.979268 148.1
[M+H-H2O]+ 235.013370 148.8
[M+HCOO]- 297.014311 164.9
[M+CH3COO]- 311.029961 189.2
[M+Na-2H]- 272.990776 153.2
[M]+ 252.01556142 163.9
[M]- 252.01665858 163.9
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.