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
trans-(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

230.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.062746 137.8
[M+Na]+ 253.044688 147.9
[M-H]- 229.048194 140.7
[M+NH4]+ 248.089293 150.6
[M+K]+ 269.018628 143.7
[M+H-H2O]+ 213.052730 129.5
[M+HCOO]- 275.053671 155.8
[M+CH3COO]- 289.069321 190.5
[M+Na-2H]- 251.030136 141.9
[M]+ 230.05492142 136.2
[M]- 230.05601858 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