CID 2778776

2,6-difluoro-4-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)O
InChI
InChI=1S/C7H4F2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10H,(H,11,12)
InChIKey
NFIQGYBXSJQLSR-UHFFFAOYSA-N
Compound name
2,6-difluoro-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

174.01285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02013 133.9
[M+Na]+ 197.00207 144.3
[M+NH4]+ 192.04667 139.8
[M+K]+ 212.97601 140.3
[M-H]- 173.00557 131.3
[M+Na-2H]- 194.98752 137.6
[M]+ 174.01230 134.3
[M]- 174.01340 134.3
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

patents stripe