CID 10513617

243665-18-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 137.8
[M+Na]+ 253.04469 147.9
[M-H]- 229.04819 140.7
[M+NH4]+ 248.08929 150.6
[M+K]+ 269.01863 143.7
[M+H-H2O]+ 213.05273 129.5
[M+HCOO]- 275.05367 155.8
[M+CH3COO]- 289.06932 190.5
[M+Na-2H]- 251.03014 141.9
[M]+ 230.05492 136.2
[M]- 230.05602 136.2
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