CID 81358707

3-cyclopentyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C8H13FO2
SMILES
C1CCC(C1)CC(C(=O)O)F
InChI
InChI=1S/C8H13FO2/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7H,1-5H2,(H,10,11)
InChIKey
SRTRWKBSNUQMLB-UHFFFAOYSA-N
Compound name
3-cyclopentyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.08995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09723 135.4
[M+Na]+ 183.07917 140.3
[M-H]- 159.08267 135.5
[M+NH4]+ 178.12377 156.7
[M+K]+ 199.05311 139.3
[M+H-H2O]+ 143.08721 129.5
[M+HCOO]- 205.08815 154.0
[M+CH3COO]- 219.10380 174.0
[M+Na-2H]- 181.06462 136.2
[M]+ 160.08940 130.5
[M]- 160.09050 130.5
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.