CID 22406871

151157-58-3

Structural Information

Molecular Formula
C12H11F3O2
SMILES
C1CC(C1)(C2=CC(=CC=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C12H11F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(10(16)17)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,16,17)
InChIKey
OEIXASDDYLPZFJ-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

244.07112 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07840 162.5
[M+Na]+ 267.06034 166.9
[M+NH4]+ 262.10494 165.4
[M+K]+ 283.03428 161.9
[M-H]- 243.06384 157.5
[M+Na-2H]- 265.04579 164.9
[M]+ 244.07057 160.5
[M]- 244.07167 160.5
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