CID 118999847

4-(difluoromethyl)-2,6-difluorobenzoic acid

Structural Information

Molecular Formula
C8H4F4O2
SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)C(F)F
InChI
InChI=1S/C8H4F4O2/c9-4-1-3(7(11)12)2-5(10)6(4)8(13)14/h1-2,7H,(H,13,14)
InChIKey
DPGAUADCUIMAAM-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)-2,6-difluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.01474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02202 148.7
[M+Na]+ 231.00396 156.5
[M+NH4]+ 226.04856 152.7
[M+K]+ 246.97790 152.4
[M-H]- 207.00746 143.8
[M+Na-2H]- 228.98941 150.5
[M]+ 208.01419 147.9
[M]- 208.01529 147.9
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