CID 135687504

7-chloro-6-nitro-4-quinazolinol

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CNC2=O
InChI
InChI=1S/C8H4ClN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
InChIKey
URDYTQYZXZKBQT-UHFFFAOYSA-N
Compound name
7-chloro-6-nitro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

224.99413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.001406 139.5
[M+Na]+ 247.983348 150.0
[M-H]- 223.986854 140.7
[M+NH4]+ 243.027953 155.6
[M+K]+ 263.957288 141.2
[M+H-H2O]+ 207.991390 137.8
[M+HCOO]- 269.992331 156.9
[M+CH3COO]- 284.007981 178.3
[M+Na-2H]- 245.968796 149.9
[M]+ 224.99358142 139.6
[M]- 224.99467858 139.6
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