CID 478828

16332-89-1

Structural Information

Molecular Formula
C14H9FN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H9FN2O2/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChIKey
YHDQLSNHBSOBED-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

256.06482 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07210 153.8
[M+Na]+ 279.05404 165.6
[M-H]- 255.05754 157.2
[M+NH4]+ 274.09864 168.6
[M+K]+ 295.02798 159.0
[M+H-H2O]+ 239.06208 144.2
[M+HCOO]- 301.06302 173.3
[M+CH3COO]- 315.07867 166.0
[M+Na-2H]- 277.03949 161.0
[M]+ 256.06427 152.7
[M]- 256.06537 152.7
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