CID 10888405

3,5-difluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4F2O3
SMILES
C1=C(C=C(C(=C1C(=O)O)O)F)F
InChI
InChI=1S/C7H4F2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey
GZPCNALAXFNOBT-UHFFFAOYSA-N
Compound name
3,5-difluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

84
Patents

174.01285 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.020126 127.5
[M+Na]+ 197.002068 137.7
[M-H]- 173.005574 127.0
[M+NH4]+ 192.046673 146.9
[M+K]+ 212.976008 135.1
[M+H-H2O]+ 157.010110 121.2
[M+HCOO]- 219.011051 147.5
[M+CH3COO]- 233.026701 175.1
[M+Na-2H]- 194.987516 131.4
[M]+ 174.01230142 124.8
[M]- 174.01339858 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

literature stripe

Patent stripe

patents stripe