CID 19622783

2-(2,2-difluoroethoxy)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C10H10F2O4
SMILES
COC1=CC(=C(C=C1)C(=O)O)OCC(F)F
InChI
InChI=1S/C10H10F2O4/c1-15-6-2-3-7(10(13)14)8(4-6)16-5-9(11)12/h2-4,9H,5H2,1H3,(H,13,14)
InChIKey
WVWRSFVTTCDZTR-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.05472 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06200 144.7
[M+Na]+ 255.04394 152.7
[M-H]- 231.04744 144.6
[M+NH4]+ 250.08854 161.9
[M+K]+ 271.01788 151.3
[M+H-H2O]+ 215.05198 137.1
[M+HCOO]- 277.05292 164.4
[M+CH3COO]- 291.06857 188.5
[M+Na-2H]- 253.02939 146.9
[M]+ 232.05417 145.3
[M]- 232.05527 145.3
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.