CID 65194237

1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CC(C1)(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKey
DQVFFAUQMVIMGZ-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.097226 144.4
[M+Na]+ 231.079168 150.4
[M-H]- 207.082674 148.5
[M+NH4]+ 226.123773 157.9
[M+K]+ 247.053108 150.6
[M+H-H2O]+ 191.087210 133.3
[M+HCOO]- 253.088151 163.4
[M+CH3COO]- 267.103801 186.6
[M+Na-2H]- 229.064616 148.6
[M]+ 208.08940142 150.5
[M]- 208.09049858 150.5
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

No patent data available for this compound.