CID 45925732

1-(4-(trifluoromethoxy)phenyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C11H9F3O3
SMILES
C1CC1(C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
InChI
InChI=1S/C11H9F3O3/c12-11(13,14)17-8-3-1-7(2-4-8)10(5-6-10)9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKey
WLYQHMMKMYCFAP-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

246.05038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05766 143.3
[M+Na]+ 269.03960 153.3
[M-H]- 245.04310 146.2
[M+NH4]+ 264.08420 157.0
[M+K]+ 285.01354 150.5
[M+H-H2O]+ 229.04764 135.8
[M+HCOO]- 291.04858 161.1
[M+CH3COO]- 305.06423 190.9
[M+Na-2H]- 267.02505 149.1
[M]+ 246.04983 143.2
[M]- 246.05093 143.2
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