CID 45925732

936727-93-4

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C1CC1(C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)17-8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
WLYQHMMKMYCFAP-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

246.05038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 160.6
[M+Na]+ 269.03960 169.1
[M+NH4]+ 264.08420 166.8
[M+K]+ 285.01354 165.1
[M-H]- 245.04310 163.7
[M+Na-2H]- 267.02505 167.3
[M]+ 246.04983 163.4
[M]- 246.05093 163.4
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

patents stripe