CID 367149

Nsc636611

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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

No literature data available for this compound.

Patent stripe

patents stripe