CID 88940167

5-amino-2,4-difluoro-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5F2NO3
SMILES
C1=C(C(=C(C(=C1N)F)O)F)C(=O)O
InChI
InChI=1S/C7H5F2NO3/c8-4-2(7(12)13)1-3(10)5(9)6(4)11/h1,11H,10H2,(H,12,13)
InChIKey
RQIRQOCTOBXYQC-UHFFFAOYSA-N
Compound name
5-amino-2,4-difluoro-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.02374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.03102 132.5
[M+Na]+ 212.01296 142.7
[M-H]- 188.01646 131.7
[M+NH4]+ 207.05756 150.9
[M+K]+ 227.98690 139.8
[M+H-H2O]+ 172.02100 125.9
[M+HCOO]- 234.02194 152.8
[M+CH3COO]- 248.03759 181.0
[M+Na-2H]- 209.99841 134.7
[M]+ 189.02319 128.3
[M]- 189.02429 128.3
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