CID 95162267

(e)-deschlorophenyl fluoxastrobin

Structural Information

Molecular Formula
C15H13FN4O5
SMILES
CO/N=C(/C1=CC=CC=C1OC2=C(C(=O)NC=N2)F)\C3=NOCCO3
InChI
InChI=1S/C15H13FN4O5/c1-22-19-12(15-20-24-7-6-23-15)9-4-2-3-5-10(9)25-14-11(16)13(21)17-8-18-14/h2-5,8H,6-7H2,1H3,(H,17,18,21)/b19-12-
InChIKey
HGGMQELFVNXQAD-UNOMPAQXSA-N
Compound name
4-[2-[(Z)-C-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxycarbonimidoyl]phenoxy]-5-fluoro-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

348.087 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.09428 178.6
[M+Na]+ 371.07622 185.9
[M-H]- 347.07972 184.4
[M+NH4]+ 366.12082 183.6
[M+K]+ 387.05016 184.3
[M+H-H2O]+ 331.08426 165.7
[M+HCOO]- 393.08520 195.2
[M+CH3COO]- 407.10085 211.2
[M+Na-2H]- 369.06167 184.1
[M]+ 348.08645 179.5
[M]- 348.08755 179.5
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

No patent data available for this compound.