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

853
Patents

250.07536 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.082636 153.3
[M+Na]+ 273.064578 163.2
[M-H]- 249.068084 154.4
[M+NH4]+ 268.109183 170.6
[M+K]+ 289.038518 158.8
[M+H-H2O]+ 233.072620 146.0
[M+HCOO]- 295.073561 166.4
[M+CH3COO]- 309.089211 164.5
[M+Na-2H]- 271.050026 156.8
[M]+ 250.07481142 148.1
[M]- 250.07590858 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

literature stripe

Patent stripe

patents stripe