CID 12703366

2,4-dichloro-6-nitroquinazoline

Structural Information

Molecular Formula
C8H3Cl2N3O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H
InChIKey
HGHPXBLOAQXDCO-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-nitroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

242.96024 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96752 143.7
[M+Na]+ 265.94946 154.4
[M-H]- 241.95296 145.1
[M+NH4]+ 260.99406 160.1
[M+K]+ 281.92340 145.7
[M+H-H2O]+ 225.95750 142.3
[M+HCOO]- 287.95844 156.9
[M+CH3COO]- 301.97409 184.5
[M+Na-2H]- 263.93491 153.2
[M]+ 242.95969 145.9
[M]- 242.96079 145.9
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