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

239
Patents

224.99413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00141 139.5
[M+Na]+ 247.98335 150.0
[M-H]- 223.98685 140.7
[M+NH4]+ 243.02795 155.6
[M+K]+ 263.95729 141.2
[M+H-H2O]+ 207.99139 137.8
[M+HCOO]- 269.99233 156.9
[M+CH3COO]- 284.00798 178.3
[M+Na-2H]- 245.96880 149.9
[M]+ 224.99358 139.6
[M]- 224.99468 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