CID 112707049

1260801-50-0

Structural Information

Molecular Formula
C12H11F3O3
SMILES
C1CC(C1)(C2=CC=CC=C2OC(F)(F)F)C(=O)O
InChI
InChI=1S/C12H11F3O3/c13-12(14,15)18-9-5-2-1-4-8(9)11(10(16)17)6-3-7-11/h1-2,4-5H,3,6-7H2,(H,16,17)
InChIKey
CVLPYRPQJNGUEU-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.06604 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07332 154.6
[M+Na]+ 283.05526 160.9
[M-H]- 259.05876 156.2
[M+NH4]+ 278.09986 165.9
[M+K]+ 299.02920 161.2
[M+H-H2O]+ 243.06330 142.0
[M+HCOO]- 305.06424 170.0
[M+CH3COO]- 319.07989 193.6
[M+Na-2H]- 281.04071 158.3
[M]+ 260.06549 159.1
[M]- 260.06659 159.1
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