CID 259157

4-chloro-2-phenylpyrimidine

Structural Information

Molecular Formula
C10H7ClN2
SMILES
C1=CC=C(C=C1)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C10H7ClN2/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H
InChIKey
RDLQLVAVVVLVEW-UHFFFAOYSA-N
Compound name
4-chloro-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

620
Patents

190.02977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.037046 136.1
[M+Na]+ 213.018988 146.2
[M-H]- 189.022494 140.0
[M+NH4]+ 208.063593 153.7
[M+K]+ 228.992928 141.1
[M+H-H2O]+ 173.027030 128.2
[M+HCOO]- 235.027971 154.4
[M+CH3COO]- 249.043621 149.6
[M+Na-2H]- 211.004436 145.3
[M]+ 190.02922142 137.1
[M]- 190.03031858 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe