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]+ 195.081586 139.7
[M+Na]+ 217.063528 146.2
[M-H]- 193.067034 144.0
[M+NH4]+ 212.108133 153.8
[M+K]+ 233.037468 146.5
[M+H-H2O]+ 177.071570 128.8
[M+HCOO]- 239.072511 159.0
[M+CH3COO]- 253.088161 183.7
[M+Na-2H]- 215.048976 144.5
[M]+ 194.07376142 145.4
[M]- 194.07485858 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.