CID 141447539

3-(difluoromethoxy)-4,5-dimethoxybenzoicacid

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

0
Patents

248.04964 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.05692 146.5
[M+Na]+ 271.03886 155.3
[M-H]- 247.04236 146.8
[M+NH4]+ 266.08346 163.3
[M+K]+ 287.01280 154.7
[M+H-H2O]+ 231.04690 138.9
[M+HCOO]- 293.04784 166.4
[M+CH3COO]- 307.06349 191.9
[M+Na-2H]- 269.02431 148.2
[M]+ 248.04909 149.0
[M]- 248.05019 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

No patent data available for this compound.