CID 58020780

4-cyclohexyl-3-fluorobenzoic acid

Structural Information

Molecular Formula
C13H15FO2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C13H15FO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,15,16)
InChIKey
CEDZXAVMBSCYJN-UHFFFAOYSA-N
Compound name
4-cyclohexyl-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.1056 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11288 148.2
[M+Na]+ 245.09482 153.6
[M-H]- 221.09832 151.7
[M+NH4]+ 240.13942 165.5
[M+K]+ 261.06876 150.2
[M+H-H2O]+ 205.10286 140.7
[M+HCOO]- 267.10380 165.7
[M+CH3COO]- 281.11945 186.5
[M+Na-2H]- 243.08027 150.1
[M]+ 222.10505 142.0
[M]- 222.10615 142.0
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

patents stripe