CID 83855084

3-fluoro-3-phenylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1C(CC1(C2=CC=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H11FO2/c12-11(6-8(7-11)10(13)14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,13,14)
InChIKey
AZTVJZSDYNFHIM-UHFFFAOYSA-N
Compound name
3-fluoro-3-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 139.7
[M+Na]+ 217.06353 146.2
[M-H]- 193.06703 144.0
[M+NH4]+ 212.10813 153.8
[M+K]+ 233.03747 146.5
[M+H-H2O]+ 177.07157 128.8
[M+HCOO]- 239.07251 159.0
[M+CH3COO]- 253.08816 183.7
[M+Na-2H]- 215.04898 144.5
[M]+ 194.07376 145.4
[M]- 194.07486 145.4
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.