CID 747389

2-phenylpyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O
InChI
InChI=1S/C11H8N2O2/c14-11(15)9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKey
BOAIYSRFGWBZCF-UHFFFAOYSA-N
Compound name
2-phenylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

200.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 141.9
[M+Na]+ 223.04780 156.6
[M+NH4]+ 218.09240 149.5
[M+K]+ 239.02174 150.3
[M-H]- 199.05130 144.5
[M+Na-2H]- 221.03325 151.3
[M]+ 200.05803 144.7
[M]- 200.05913 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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