CID 84021984

2-cyclohexyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C9H15FO2
SMILES
CC(C1CCCCC1)(C(=O)O)F
InChI
InChI=1S/C9H15FO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,12)
InChIKey
AFCJCPPYUQFTBI-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11288 137.7
[M+Na]+ 197.09482 142.0
[M-H]- 173.09832 137.7
[M+NH4]+ 192.13942 156.8
[M+K]+ 213.06876 140.8
[M+H-H2O]+ 157.10286 132.0
[M+HCOO]- 219.10380 153.4
[M+CH3COO]- 233.11945 176.8
[M+Na-2H]- 195.08027 141.3
[M]+ 174.10505 131.3
[M]- 174.10615 131.3
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.