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]+ 253.02339 148.4
[M+Na]+ 275.00533 157.9
[M-H]- 251.00883 152.8
[M+NH4]+ 270.04993 170.9
[M+K]+ 290.97927 148.1
[M+H-H2O]+ 235.01337 148.8
[M+HCOO]- 297.01431 164.9
[M+CH3COO]- 311.02996 189.2
[M+Na-2H]- 272.99078 153.2
[M]+ 252.01556 163.9
[M]- 252.01666 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.