CID 105430899

1780235-13-3

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CCC(=CC1)C(C(=O)O)F
InChI
InChI=1S/C8H11FO2/c9-7(8(10)11)6-4-2-1-3-5-6/h4,7H,1-3,5H2,(H,10,11)
InChIKey
ONCOJDOHJGOFHO-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-2-fluoroacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07431 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.081586 132.0
[M+Na]+ 181.063528 137.0
[M-H]- 157.067034 132.3
[M+NH4]+ 176.108133 151.6
[M+K]+ 197.037468 135.9
[M+H-H2O]+ 141.071570 125.8
[M+HCOO]- 203.072511 150.0
[M+CH3COO]- 217.088161 173.9
[M+Na-2H]- 179.048976 135.1
[M]+ 158.07376142 126.5
[M]- 158.07485858 126.5
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.