CID 43810313

2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H10F2O3
SMILES
C1C(C1C(=O)O)C2=CC=CC=C2OC(F)F
InChI
InChI=1S/C11H10F2O3/c12-11(13)16-9-4-2-1-3-6(9)7-5-8(7)10(14)15/h1-4,7-8,11H,5H2,(H,14,15)
InChIKey
VEQHUVWIKWWTFY-UHFFFAOYSA-N
Compound name
2-[2-(difluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.0598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06708 139.7
[M+Na]+ 251.04902 149.1
[M-H]- 227.05252 143.7
[M+NH4]+ 246.09362 152.3
[M+K]+ 267.02296 145.6
[M+H-H2O]+ 211.05706 131.6
[M+HCOO]- 273.05800 159.4
[M+CH3COO]- 287.07365 190.9
[M+Na-2H]- 249.03447 142.4
[M]+ 228.05925 140.6
[M]- 228.06035 140.6
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