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]+ 209.09723 144.4
[M+Na]+ 231.07917 150.4
[M-H]- 207.08267 148.5
[M+NH4]+ 226.12377 157.9
[M+K]+ 247.05311 150.6
[M+H-H2O]+ 191.08721 133.3
[M+HCOO]- 253.08815 163.4
[M+CH3COO]- 267.10380 186.6
[M+Na-2H]- 229.06462 148.6
[M]+ 208.08940 150.5
[M]- 208.09050 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.