CID 77338

4,6-dichloro-2-phenylpyrimidine

Structural Information

Molecular Formula
C10H6Cl2N2
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=N2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
InChIKey
NRFQZTCQAYEXEE-UHFFFAOYSA-N
Compound name
4,6-dichloro-2-phenylpyrimidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

17243
Patents

223.9908 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.998076 141.7
[M+Na]+ 246.980018 152.9
[M-H]- 222.983524 145.0
[M+NH4]+ 242.024623 158.5
[M+K]+ 262.953958 146.6
[M+H-H2O]+ 206.988060 134.2
[M+HCOO]- 268.989001 154.6
[M+CH3COO]- 283.004651 154.5
[M+Na-2H]- 244.965466 149.2
[M]+ 223.99025142 144.0
[M]- 223.99134858 144.0
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