CID 158434

Flumipropyn

Structural Information

Molecular Formula
C18H15ClFNO3
SMILES
CC(C#C)OC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Cl
InChI
InChI=1S/C18H15ClFNO3/c1-3-10(2)24-16-9-15(14(20)8-13(16)19)21-17(22)11-6-4-5-7-12(11)18(21)23/h1,8-10H,4-7H2,2H3
InChIKey
ONNQFZOZHDEENE-UHFFFAOYSA-N
Compound name
2-(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8089
Patents

347.07245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07973 176.6
[M+Na]+ 370.06167 189.1
[M-H]- 346.06517 179.3
[M+NH4]+ 365.10627 190.6
[M+K]+ 386.03561 179.5
[M+H-H2O]+ 330.06971 163.3
[M+HCOO]- 392.07065 184.1
[M+CH3COO]- 406.08630 217.2
[M+Na-2H]- 368.04712 173.2
[M]+ 347.07190 172.1
[M]- 347.07300 172.1
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