CID 93299372

1683526-60-4

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)17-9-4-2-1-3-6(9)7-5-8(7)10(15)16/h1-4,7-8H,5H2,(H,15,16)/t7-,8+/m0/s1
InChIKey
URRRSJNYUQVDCI-JGVFFNPUSA-N
Compound name
(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 141.6
[M+Na]+ 269.03960 151.6
[M-H]- 245.04310 144.5
[M+NH4]+ 264.08420 153.7
[M+K]+ 285.01354 147.8
[M+H-H2O]+ 229.04764 133.1
[M+HCOO]- 291.04858 159.7
[M+CH3COO]- 305.06423 192.5
[M+Na-2H]- 267.02505 145.7
[M]+ 246.04983 141.4
[M]- 246.05093 141.4
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