CID 84717539

3-cyclopentyl-2-fluoro-2-methylpropanoic acid

Structural Information

Molecular Formula
C9H15FO2
SMILES
CC(CC1CCCC1)(C(=O)O)F
InChI
InChI=1S/C9H15FO2/c1-9(10,8(11)12)6-7-4-2-3-5-7/h7H,2-6H2,1H3,(H,11,12)
InChIKey
OTKDTVFHPDYFSC-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-fluoro-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11288 139.0
[M+Na]+ 197.09482 144.2
[M-H]- 173.09832 139.2
[M+NH4]+ 192.13942 160.0
[M+K]+ 213.06876 142.9
[M+H-H2O]+ 157.10286 133.6
[M+HCOO]- 219.10380 156.8
[M+CH3COO]- 233.11945 176.5
[M+Na-2H]- 195.08027 141.3
[M]+ 174.10505 134.6
[M]- 174.10615 134.6
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.