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

6
Patents

234.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.02688 145.9
[M+Na]+ 257.00882 155.9
[M-H]- 233.01232 149.0
[M+NH4]+ 252.05342 161.1
[M+K]+ 272.98276 150.7
[M+H-H2O]+ 217.01686 138.3
[M+HCOO]- 279.01780 162.1
[M+CH3COO]- 293.03345 186.0
[M+Na-2H]- 254.99427 152.3
[M]+ 234.01905 147.5
[M]- 234.02015 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