CID 16658240

88145-90-8

Structural Information

Molecular Formula
C8H5FN2O2
SMILES
C1=CC2=C(C=C1F)C(=O)NC(=O)N2
InChI
InChI=1S/C8H5FN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)
InChIKey
QUQJMNPJMVUMNE-UHFFFAOYSA-N
Compound name
6-fluoro-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

180.03351 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04079 131.5
[M+Na]+ 203.02273 143.4
[M-H]- 179.02623 130.4
[M+NH4]+ 198.06733 149.0
[M+K]+ 218.99667 138.1
[M+H-H2O]+ 163.03077 124.2
[M+HCOO]- 225.03171 150.3
[M+CH3COO]- 239.04736 174.8
[M+Na-2H]- 201.00818 139.8
[M]+ 180.03296 128.8
[M]- 180.03406 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe