CID 141447539

3-(difluoromethoxy)-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C10H10F2O5
SMILES
COC1=C(C(=CC(=C1)C(=O)O)OC(F)F)OC
InChI
InChI=1S/C10H10F2O5/c1-15-6-3-5(9(13)14)4-7(8(6)16-2)17-10(11)12/h3-4,10H,1-2H3,(H,13,14)
InChIKey
LYCOURSGVSSEJW-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.04964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.056916 146.5
[M+Na]+ 271.038858 155.3
[M-H]- 247.042364 146.8
[M+NH4]+ 266.083463 163.3
[M+K]+ 287.012798 154.7
[M+H-H2O]+ 231.046900 138.9
[M+HCOO]- 293.047841 166.4
[M+CH3COO]- 307.063491 191.9
[M+Na-2H]- 269.024306 148.2
[M]+ 248.04909142 149.0
[M]- 248.05018858 149.0
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