CID 137944005

7-fluorobicyclo[4.1.0]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C8H11FO2
SMILES
C1CCC2C(C1)C2(C(=O)O)F
InChI
InChI=1S/C8H11FO2/c9-8(7(10)11)5-3-1-2-4-6(5)8/h5-6H,1-4H2,(H,10,11)
InChIKey
ULFWIOODKGIASC-UHFFFAOYSA-N
Compound name
7-fluorobicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.07431 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.081586 131.3
[M+Na]+ 181.063528 140.3
[M-H]- 157.067034 134.1
[M+NH4]+ 176.108133 149.6
[M+K]+ 197.037468 138.2
[M+H-H2O]+ 141.071570 126.2
[M+HCOO]- 203.072511 148.6
[M+CH3COO]- 217.088161 177.8
[M+Na-2H]- 179.048976 137.3
[M]+ 158.07376142 130.0
[M]- 158.07485858 130.0
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.