CID 57346647

5-chloro-2-phenylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H7ClN2O2
SMILES
C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)Cl
InChI
InChI=1S/C11H7ClN2O2/c12-8-6-13-10(14-9(8)11(15)16)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKey
VBKYYZTUJFIZJI-UHFFFAOYSA-N
Compound name
5-chloro-2-phenylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

234.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.026876 145.9
[M+Na]+ 257.008818 155.9
[M-H]- 233.012324 149.0
[M+NH4]+ 252.053423 161.1
[M+K]+ 272.982758 150.7
[M+H-H2O]+ 217.016860 138.3
[M+HCOO]- 279.017801 162.1
[M+CH3COO]- 293.033451 186.0
[M+Na-2H]- 254.994266 152.3
[M]+ 234.01905142 147.5
[M]- 234.02014858 147.5
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