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]+ 223.112876 148.2
[M+Na]+ 245.094818 153.6
[M-H]- 221.098324 151.7
[M+NH4]+ 240.139423 165.5
[M+K]+ 261.068758 150.2
[M+H-H2O]+ 205.102860 140.7
[M+HCOO]- 267.103801 165.7
[M+CH3COO]- 281.119451 186.5
[M+Na-2H]- 243.080266 150.1
[M]+ 222.10505142 142.0
[M]- 222.10614858 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