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]+ 229.067076 139.7
[M+Na]+ 251.049018 149.1
[M-H]- 227.052524 143.7
[M+NH4]+ 246.093623 152.3
[M+K]+ 267.022958 145.6
[M+H-H2O]+ 211.057060 131.6
[M+HCOO]- 273.058001 159.4
[M+CH3COO]- 287.073651 190.9
[M+Na-2H]- 249.034466 142.4
[M]+ 228.05925142 140.6
[M]- 228.06034858 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