CID 136543619

2-(difluoromethyl)-6-fluoro-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula
C9H5F3N2O
SMILES
C1=CC2=C(C=C1F)C(=O)NC(=N2)C(F)F
InChI
InChI=1S/C9H5F3N2O/c10-4-1-2-6-5(3-4)9(15)14-8(13-6)7(11)12/h1-3,7H,(H,13,14,15)
InChIKey
ZZYDQVYUIFTGQM-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-6-fluoro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0354 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04268 142.8
[M+Na]+ 237.02462 154.0
[M+NH4]+ 232.06922 148.3
[M+K]+ 252.99856 148.6
[M-H]- 213.02812 139.6
[M+Na-2H]- 235.01007 147.0
[M]+ 214.03485 143.1
[M]- 214.03595 143.1
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

patents stripe