CID 112756251

4,8-dichloro-6-nitroquinazoline

Structural Information

Molecular Formula
C8H3Cl2N3O2
SMILES
C1=C(C=C(C2=C1C(=NC=N2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H3Cl2N3O2/c9-6-2-4(13(14)15)1-5-7(6)11-3-12-8(5)10/h1-3H
InChIKey
IMXYDVKZIBRRHB-UHFFFAOYSA-N
Compound name
4,8-dichloro-6-nitroquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.96024 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe