CID 63782

Brn 0804530

Structural Information

Molecular Formula
C15H10BrFN2O
SMILES
CC1=NC2=C(C=C(C=C2)F)C(=O)N1C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H10BrFN2O/c1-9-18-14-7-4-11(17)8-13(14)15(20)19(9)12-5-2-10(16)3-6-12/h2-8H,1H3
InChIKey
KIZREFDAAAKXBT-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-6-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.99606 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.00334 165.8
[M+Na]+ 354.98528 180.5
[M-H]- 330.98878 173.0
[M+NH4]+ 350.02988 182.4
[M+K]+ 370.95922 167.2
[M+H-H2O]+ 314.99332 163.0
[M+HCOO]- 376.99426 183.8
[M+CH3COO]- 391.00991 179.7
[M+Na-2H]- 352.97073 172.8
[M]+ 331.99551 185.1
[M]- 331.99661 185.1
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

No patent data available for this compound.