CID 53829230

2,4-dichloro-6-phenylquinazoline

Structural Information

Molecular Formula
C14H8Cl2N2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N=C3Cl)Cl
InChI
InChI=1S/C14H8Cl2N2/c15-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-8H
InChIKey
GBGYTTAUYMMLAW-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-phenylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

274.00644 Da
Monoisotopic Mass

5.1
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

No literature data available for this compound.

Patent stripe

patents stripe