CID 154747219

7-bromo-5-fluoro-2-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H6BrFN2O
SMILES
CC1=NC2=C(C(=CC(=C2)Br)F)C(=O)N1
InChI
InChI=1S/C9H6BrFN2O/c1-4-12-7-3-5(10)2-6(11)8(7)9(14)13-4/h2-3H,1H3,(H,12,13,14)
InChIKey
NLOBRWNOTQNYCQ-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-2-methyl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

255.96475 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.97203 143.0
[M+Na]+ 278.95397 158.0
[M-H]- 254.95747 146.2
[M+NH4]+ 273.99857 162.2
[M+K]+ 294.92791 145.2
[M+H-H2O]+ 238.96201 141.9
[M+HCOO]- 300.96295 160.4
[M+CH3COO]- 314.97860 190.1
[M+Na-2H]- 276.93942 151.4
[M]+ 255.96420 160.8
[M]- 255.96530 160.8
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