CID 12756207

3-cyclohexyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C9H15FO2
SMILES
C1CCC(CC1)CC(C(=O)O)F
InChI
InChI=1S/C9H15FO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)
InChIKey
GBRVBBDXMLRPCC-UHFFFAOYSA-N
Compound name
3-cyclohexyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1056 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11288 138.7
[M+Na]+ 197.09482 142.3
[M-H]- 173.09832 138.4
[M+NH4]+ 192.13942 157.6
[M+K]+ 213.06876 141.1
[M+H-H2O]+ 157.10286 132.4
[M+HCOO]- 219.10380 154.9
[M+CH3COO]- 233.11945 177.4
[M+Na-2H]- 195.08027 140.2
[M]+ 174.10505 132.1
[M]- 174.10615 132.1
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.