CID 135434257

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

Structural Information

Molecular Formula
C11H7BrN2O4
SMILES
C1=CC=C(C(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O)Br
InChI
InChI=1S/C11H7BrN2O4/c12-6-4-2-1-3-5(6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16)
InChIKey
RTTHQURARGMHSR-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.95892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.96620 154.1
[M+Na]+ 332.94814 166.3
[M-H]- 308.95164 157.9
[M+NH4]+ 327.99274 168.0
[M+K]+ 348.92208 153.6
[M+H-H2O]+ 292.95618 152.7
[M+HCOO]- 354.95712 170.1
[M+CH3COO]- 368.97277 193.5
[M+Na-2H]- 330.93359 159.4
[M]+ 309.95837 171.4
[M]- 309.95947 171.4
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.