CID 9568687

16118-18-6

Structural Information

Molecular Formula
C14H10FN3O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FN3O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8H2,(H,17,19,20)/b16-7+
InChIKey
HPRIXHPEHLVITL-FRKPEAEDSA-N
Compound name
1-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

287.07062 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07790 161.0
[M+Na]+ 310.05984 170.1
[M-H]- 286.06334 168.5
[M+NH4]+ 305.10444 175.7
[M+K]+ 326.03378 166.5
[M+H-H2O]+ 270.06788 151.9
[M+HCOO]- 332.06882 183.0
[M+CH3COO]- 346.08447 199.6
[M+Na-2H]- 308.04529 161.8
[M]+ 287.07007 159.9
[M]- 287.07117 159.9
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