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

27886
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.