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

185
Patents

246.05038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.057656 143.3
[M+Na]+ 269.039598 153.3
[M-H]- 245.043104 146.2
[M+NH4]+ 264.084203 157.0
[M+K]+ 285.013538 150.5
[M+H-H2O]+ 229.047640 135.8
[M+HCOO]- 291.048581 161.1
[M+CH3COO]- 305.064231 190.9
[M+Na-2H]- 267.025046 149.1
[M]+ 246.04983142 143.2
[M]- 246.05092858 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