CID 2060451

4-(difluoromethoxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula
C9H8F2O4
SMILES
COC1=C(C=CC(=C1)C(=O)O)OC(F)F
InChI
InChI=1S/C9H8F2O4/c1-14-7-4-5(8(12)13)2-3-6(7)15-9(10)11/h2-4,9H,1H3,(H,12,13)
InChIKey
QEZBOPWZULAPBJ-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

218.03906 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04634 145.4
[M+Na]+ 241.02828 154.8
[M+NH4]+ 236.07288 150.6
[M+K]+ 257.00222 151.1
[M-H]- 217.03178 142.5
[M+Na-2H]- 239.01373 148.6
[M]+ 218.03851 145.5
[M]- 218.03961 145.5
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