CID 1628221

2,6-dichloro-4-phenylquinazoline

Structural Information

Molecular Formula
C14H8Cl2N2
SMILES
C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H8Cl2N2/c15-10-6-7-12-11(8-10)13(18-14(16)17-12)9-4-2-1-3-5-9/h1-8H
InChIKey
CRVSRCOECJCBAJ-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

274.00644 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01372 156.2
[M+Na]+ 296.99566 168.0
[M-H]- 272.99916 160.3
[M+NH4]+ 292.04026 172.1
[M+K]+ 312.96960 160.3
[M+H-H2O]+ 257.00370 147.8
[M+HCOO]- 319.00464 167.6
[M+CH3COO]- 333.02029 168.2
[M+Na-2H]- 294.98111 163.8
[M]+ 274.00589 159.3
[M]- 274.00699 159.3
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