CID 337359

Sorbinil

Structural Information

Molecular Formula
C11H9FN2O3
SMILES
C1COC2=C([C@]13C(=O)NC(=O)N3)C=C(C=C2)F
InChI
InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
InChIKey
LXANPKRCLVQAOG-NSHDSACASA-N
Compound name
(4S)-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

569
References

2928
Patents

236.05972 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06700 148.6
[M+Na]+ 259.04894 158.1
[M-H]- 235.05244 149.6
[M+NH4]+ 254.09354 166.2
[M+K]+ 275.02288 153.9
[M+H-H2O]+ 219.05698 141.1
[M+HCOO]- 281.05792 162.1
[M+CH3COO]- 295.07357 159.9
[M+Na-2H]- 257.03439 153.3
[M]+ 236.05917 142.7
[M]- 236.06027 142.7
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