CID 135409260

2-(3,5-difluorophenyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H6F2N2O4
SMILES
C1=C(C=C(C=C1F)F)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H6F2N2O4/c12-5-1-4(2-6(13)3-5)9-14-7(11(18)19)8(16)10(17)15-9/h1-3,16H,(H,18,19)(H,14,15,17)
InChIKey
UYVOWXNGDQKEPZ-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.02957 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03685 152.8
[M+Na]+ 291.01879 164.1
[M-H]- 267.02229 151.9
[M+NH4]+ 286.06339 164.8
[M+K]+ 306.99273 158.6
[M+H-H2O]+ 251.02683 143.6
[M+HCOO]- 313.02777 169.0
[M+CH3COO]- 327.04342 190.5
[M+Na-2H]- 289.00424 155.1
[M]+ 268.02902 149.9
[M]- 268.03012 149.9
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

No patent data available for this compound.