CID 55107207

1226238-78-3

Structural Information

Molecular Formula
C14H17FO2
SMILES
C1CCC(CC1)(CC2=CC=CC=C2F)C(=O)O
InChI
InChI=1S/C14H17FO2/c15-12-7-3-2-6-11(12)10-14(13(16)17)8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,16,17)
InChIKey
ALGOGYWEHFUCLL-UHFFFAOYSA-N
Compound name
1-[(2-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 153.8
[M+Na]+ 259.11048 158.8
[M-H]- 235.11398 157.0
[M+NH4]+ 254.15508 172.2
[M+K]+ 275.08442 155.4
[M+H-H2O]+ 219.11852 146.5
[M+HCOO]- 281.11946 170.9
[M+CH3COO]- 295.13511 187.9
[M+Na-2H]- 257.09593 156.8
[M]+ 236.12071 147.8
[M]- 236.12181 147.8
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.