CID 62738340

1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H17FO2
SMILES
C1CCC(CC1)(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C14H17FO2/c15-12-6-4-5-11(9-12)10-14(13(16)17)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,16,17)
InChIKey
NZDOIQMRLOIYOY-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12126 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12854 156.0
[M+Na]+ 259.11048 166.9
[M+NH4]+ 254.15508 165.2
[M+K]+ 275.08442 158.3
[M-H]- 235.11398 158.0
[M+Na-2H]- 257.09593 163.4
[M]+ 236.12071 158.1
[M]- 236.12181 158.1
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.