CID 28791524

3-[2-(difluoromethoxy)phenyl]but-2-enoic acid

Structural Information

Molecular Formula
C11H10F2O3
SMILES
C/C(=C\C(=O)O)/C1=CC=CC=C1OC(F)F
InChI
InChI=1S/C11H10F2O3/c1-7(6-10(14)15)8-4-2-3-5-9(8)16-11(12)13/h2-6,11H,1H3,(H,14,15)/b7-6+
InChIKey
NMUQGDKBFFHJPK-VOTSOKGWSA-N
Compound name
(E)-3-[2-(difluoromethoxy)phenyl]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.0598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06708 146.0
[M+Na]+ 251.04902 152.9
[M-H]- 227.05252 145.6
[M+NH4]+ 246.09362 163.1
[M+K]+ 267.02296 150.6
[M+H-H2O]+ 211.05706 138.4
[M+HCOO]- 273.05800 164.4
[M+CH3COO]- 287.07365 187.6
[M+Na-2H]- 249.03447 147.1
[M]+ 228.05925 143.7
[M]- 228.06035 143.7
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

No patent data available for this compound.