CID 51888091

Rac-(1r,2r)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C1[C@@H]([C@H]1C(=O)O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)17-7-3-1-6(2-4-7)8-5-9(8)10(15)16/h1-4,8-9H,5H2,(H,15,16)/t8-,9+/m1/s1
InChIKey
IYYOCNQIQCLRHF-BDAKNGLRSA-N
Compound name
(1S,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.05038 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 159.8
[M+Na]+ 269.03960 168.3
[M+NH4]+ 264.08420 164.7
[M+K]+ 285.01354 165.9
[M-H]- 245.04310 162.7
[M+Na-2H]- 267.02505 164.8
[M]+ 246.04983 162.4
[M]- 246.05093 162.4
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