CID 246858

7-chloroquinazoline-2,4-diol

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=CC2=C(C=C1Cl)NC(=O)NC2=O
InChI
InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)10-8(13)11-7(5)12/h1-3H,(H2,10,11,12,13)
InChIKey
QEXAYZARVWHJJA-UHFFFAOYSA-N
Compound name
7-chloro-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

196.00395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01123 133.9
[M+Na]+ 218.99317 146.5
[M-H]- 194.99667 134.0
[M+NH4]+ 214.03777 151.7
[M+K]+ 234.96711 140.0
[M+H-H2O]+ 179.00121 128.3
[M+HCOO]- 241.00215 149.2
[M+CH3COO]- 255.01780 147.2
[M+Na-2H]- 216.97862 142.4
[M]+ 196.00340 134.2
[M]- 196.00450 134.2
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