CID 367144

Nsc636603

Structural Information

Molecular Formula
C11H7FN2O3
SMILES
C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)F
InChI
InChI=1S/C11H7FN2O3/c12-7-3-1-6(2-4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey
UQCQNOXNWBHZMC-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

234.04407 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05135 149.1
[M+Na]+ 257.03329 158.0
[M-H]- 233.03679 149.4
[M+NH4]+ 252.07789 162.8
[M+K]+ 273.00723 152.0
[M+H-H2O]+ 217.04133 140.6
[M+HCOO]- 279.04227 164.8
[M+CH3COO]- 293.05792 184.2
[M+Na-2H]- 255.01874 151.4
[M]+ 234.04352 142.1
[M]- 234.04462 142.1
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