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 150.7
[M+Na]+ 251.04902 159.4
[M+NH4]+ 246.09362 155.7
[M+K]+ 267.02296 155.3
[M-H]- 227.05252 147.6
[M+Na-2H]- 249.03447 153.5
[M]+ 228.05925 150.6
[M]- 228.06035 150.6
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

No patent data available for this compound.