CID 136333895

7-chloro-8-fluoro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C8H4ClFN2O
SMILES
C1=CC(=C(C2=C1C(=O)NC=N2)F)Cl
InChI
InChI=1S/C8H4ClFN2O/c9-5-2-1-4-7(6(5)10)11-3-12-8(4)13/h1-3H,(H,11,12,13)
InChIKey
BMSJIVBWHFDFBU-UHFFFAOYSA-N
Compound name
7-chloro-8-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.99962 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00690 133.8
[M+Na]+ 220.98884 149.4
[M+NH4]+ 216.03344 142.1
[M+K]+ 236.96278 142.1
[M-H]- 196.99234 134.1
[M+Na-2H]- 218.97429 141.0
[M]+ 197.99907 136.4
[M]- 198.00017 136.4
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.