CID 46311650

2-(difluoromethoxy)-4-fluorobenzoic acid

Structural Information

Molecular Formula
C8H5F3O3
SMILES
C1=CC(=C(C=C1F)OC(F)F)C(=O)O
InChI
InChI=1S/C8H5F3O3/c9-4-1-2-5(7(12)13)6(3-4)14-8(10)11/h1-3,8H,(H,12,13)
InChIKey
RCPCZEHIEZGLER-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

206.01907 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02635 144.1
[M+Na]+ 229.00829 152.7
[M+NH4]+ 224.05289 148.8
[M+K]+ 244.98223 148.8
[M-H]- 205.01179 140.1
[M+Na-2H]- 226.99374 146.9
[M]+ 206.01852 143.7
[M]- 206.01962 143.7
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