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]+ 190.031016 132.5
[M+Na]+ 212.012958 142.7
[M-H]- 188.016464 131.7
[M+NH4]+ 207.057563 150.9
[M+K]+ 227.986898 139.8
[M+H-H2O]+ 172.021000 125.9
[M+HCOO]- 234.021941 152.7
[M+CH3COO]- 248.037591 181.0
[M+Na-2H]- 209.998406 134.7
[M]+ 189.02319142 128.3
[M]- 189.02428858 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