CID 135742365

17518-95-5

Structural Information

Molecular Formula
C8H4BrClN2O
SMILES
C1=C2C(=CC(=C1Br)Cl)N=CNC2=O
InChI
InChI=1S/C8H4BrClN2O/c9-5-1-4-7(2-6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)
InChIKey
RTTTZYWVEGOBLI-UHFFFAOYSA-N
Compound name
6-bromo-7-chloro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

257.91956 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.92684 138.5
[M+Na]+ 280.90878 154.1
[M-H]- 256.91228 142.7
[M+NH4]+ 275.95338 158.4
[M+K]+ 296.88272 140.3
[M+H-H2O]+ 240.91682 139.1
[M+HCOO]- 302.91776 152.9
[M+CH3COO]- 316.93341 153.8
[M+Na-2H]- 278.89423 148.7
[M]+ 257.91901 158.6
[M]- 257.92011 158.6
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