CID 155973459

2648948-83-6

Structural Information

Molecular Formula
C7H9FO3
SMILES
C1CC2(CC1(CO2)F)C(=O)O
InChI
InChI=1S/C7H9FO3/c8-6-1-2-7(3-6,5(9)10)11-4-6/h1-4H2,(H,9,10)
InChIKey
TYPUMFSKSGWIPU-UHFFFAOYSA-N
Compound name
4-fluoro-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.05357 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.06085 130.3
[M+Na]+ 183.04279 138.7
[M-H]- 159.04629 131.5
[M+NH4]+ 178.08739 157.8
[M+K]+ 199.01673 138.2
[M+H-H2O]+ 143.05083 127.4
[M+HCOO]- 205.05177 148.6
[M+CH3COO]- 219.06742 171.0
[M+Na-2H]- 181.02824 137.1
[M]+ 160.05302 128.8
[M]- 160.05412 128.8
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.