CID 137935681

1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C7H9FO3
SMILES
C1C2(CC1(OC2)CF)C(=O)O
InChI
InChI=1S/C7H9FO3/c8-3-7-1-6(2-7,4-11-7)5(9)10/h1-4H2,(H,9,10)
InChIKey
RMUDMGDPCTWOQI-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

160.05357 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.06085 129.5
[M+Na]+ 183.04279 131.6
[M+NH4]+ 178.08739 136.6
[M+K]+ 199.01673 129.9
[M-H]- 159.04629 123.3
[M+Na-2H]- 181.02824 126.7
[M]+ 160.05302 126.8
[M]- 160.05412 126.8
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

patents stripe