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

18
Patents

160.05357 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.060846 137.0
[M+Na]+ 183.042788 143.9
[M-H]- 159.046294 136.7
[M+NH4]+ 178.087393 160.0
[M+K]+ 199.016728 145.7
[M+H-H2O]+ 143.050830 131.4
[M+HCOO]- 205.051771 152.2
[M+CH3COO]- 219.067421 178.0
[M+Na-2H]- 181.028236 145.7
[M]+ 160.05302142 149.3
[M]- 160.05411858 149.3
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