CID 58641765

2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.05472 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06200 149.8
[M+Na]+ 255.04394 158.9
[M+NH4]+ 250.08854 154.8
[M+K]+ 271.01788 155.0
[M-H]- 231.04744 146.8
[M+Na-2H]- 253.02939 152.7
[M]+ 232.05417 149.8
[M]- 232.05527 149.8
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