CID 92425

Flumioxazin

Structural Information

Molecular Formula
C19H15FN2O4
SMILES
C#CCN1C(=O)COC2=CC(=C(C=C21)N3C(=O)C4=C(C3=O)CCCC4)F
InChI
InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
InChIKey
FOUWCSDKDDHKQP-UHFFFAOYSA-N
Compound name
2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

64
References

27242
Patents

354.1016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10888 177.9
[M+Na]+ 377.09082 189.7
[M-H]- 353.09432 179.9
[M+NH4]+ 372.13542 188.8
[M+K]+ 393.06476 180.7
[M+H-H2O]+ 337.09886 162.6
[M+HCOO]- 399.09980 185.1
[M+CH3COO]- 413.11545 185.9
[M+Na-2H]- 375.07627 175.8
[M]+ 354.10105 170.4
[M]- 354.10215 170.4
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