CID 22116788

2,4-difluoro-6-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=C(C=C(C(=C1O)C(=O)O)F)F
InChI
InChI=1S/C7H4F2O3/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,10H,(H,11,12)
InChIKey
DHJRFSOFNFQKJE-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

174.01285 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02013 127.5
[M+Na]+ 197.00207 137.7
[M-H]- 173.00557 127.0
[M+NH4]+ 192.04667 146.9
[M+K]+ 212.97601 135.1
[M+H-H2O]+ 157.01011 121.2
[M+HCOO]- 219.01105 147.5
[M+CH3COO]- 233.02670 175.1
[M+Na-2H]- 194.98752 131.4
[M]+ 174.01230 124.8
[M]- 174.01340 124.8
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