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]+ 159.08159 132.0
[M+Na]+ 181.06353 137.0
[M-H]- 157.06703 132.3
[M+NH4]+ 176.10813 151.6
[M+K]+ 197.03747 135.9
[M+H-H2O]+ 141.07157 125.8
[M+HCOO]- 203.07251 150.0
[M+CH3COO]- 217.08816 173.9
[M+Na-2H]- 179.04898 135.1
[M]+ 158.07376 126.5
[M]- 158.07486 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.