CID 86688280

3-(3-fluorooxetan-3-yl)benzoic acid

Structural Information

Molecular Formula
C10H9FO3
SMILES
C1C(CO1)(C2=CC=CC(=C2)C(=O)O)F
InChI
InChI=1S/C10H9FO3/c11-10(5-14-6-10)8-3-1-2-7(4-8)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
QXEPGIJNORBJMZ-UHFFFAOYSA-N
Compound name
3-(3-fluorooxetan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

196.05357 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06085 136.1
[M+Na]+ 219.04279 142.8
[M-H]- 195.04629 141.2
[M+NH4]+ 214.08739 148.8
[M+K]+ 235.01673 145.1
[M+H-H2O]+ 179.05083 125.2
[M+HCOO]- 241.05177 155.1
[M+CH3COO]- 255.06742 182.8
[M+Na-2H]- 217.02824 142.6
[M]+ 196.05302 143.5
[M]- 196.05412 143.5
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