CID 135573300

6-chloro-2-(3,5-dichloro-2-hydroxyphenyl)-4(1h)-quinazolinone

Structural Information

Molecular Formula
C14H7Cl3N2O2
SMILES
C1=CC2=C(C=C1Cl)C(=O)NC(=N2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C14H7Cl3N2O2/c15-6-1-2-11-8(3-6)14(21)19-13(18-11)9-4-7(16)5-10(17)12(9)20/h1-5,20H,(H,18,19,21)
InChIKey
WLGLDEHMWPVPCV-UHFFFAOYSA-N
Compound name
6-chloro-2-(3,5-dichloro-2-hydroxyphenyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

339.9573 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.96458 166.3
[M+Na]+ 362.94652 179.6
[M-H]- 338.95002 167.9
[M+NH4]+ 357.99112 179.0
[M+K]+ 378.92046 171.2
[M+H-H2O]+ 322.95456 159.9
[M+HCOO]- 384.95550 170.1
[M+CH3COO]- 398.97115 176.7
[M+Na-2H]- 360.93197 170.0
[M]+ 339.95675 169.7
[M]- 339.95785 169.7
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