CID 10513620

201164-18-3

Structural Information

Molecular Formula
C11H9F3O2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C11H9F3O2/c12-11(13,14)7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m0/s1
InChIKey
UKRIUIRBTVRYAH-DTWKUNHWSA-N
Compound name
(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

230.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06275 156.7
[M+Na]+ 253.04469 165.7
[M+NH4]+ 248.08929 162.1
[M+K]+ 269.01863 162.8
[M-H]- 229.04819 160.1
[M+Na-2H]- 251.03014 162.2
[M]+ 230.05492 159.5
[M]- 230.05602 159.5
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