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 137.0
[M+Na]+ 183.04279 143.9
[M-H]- 159.04629 136.7
[M+NH4]+ 178.08739 160.0
[M+K]+ 199.01673 145.7
[M+H-H2O]+ 143.05083 131.4
[M+HCOO]- 205.05177 152.2
[M+CH3COO]- 219.06742 178.0
[M+Na-2H]- 181.02824 145.7
[M]+ 160.05302 149.3
[M]- 160.05412 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