CID 175915

E-0722

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
C[C@@H]1C[C@]2(C3=C(O1)C=CC(=C3)F)C(=O)NC(=O)N2
InChI
InChI=1S/C12H11FN2O3/c1-6-5-12(10(16)14-11(17)15-12)8-4-7(13)2-3-9(8)18-6/h2-4,6H,5H2,1H3,(H2,14,15,16,17)/t6-,12+/m1/s1
InChIKey
SEAQTHCVAGBRFY-INWYIAFRSA-N
Compound name
(2R,4S)-6-fluoro-2-methylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

832
Patents

250.07536 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 153.3
[M+Na]+ 273.06458 163.2
[M-H]- 249.06808 154.4
[M+NH4]+ 268.10918 170.6
[M+K]+ 289.03852 158.8
[M+H-H2O]+ 233.07262 146.0
[M+HCOO]- 295.07356 166.4
[M+CH3COO]- 309.08921 164.5
[M+Na-2H]- 271.05003 156.8
[M]+ 250.07481 148.1
[M]- 250.07591 148.1
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

No patent data available for this compound.