CID 137220811

M03 prothioconazole-trizolinone

Structural Information

Molecular Formula
C14H15Cl2N3O2
SMILES
C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=O)NC=N3)O)Cl
InChI
InChI=1S/C14H15Cl2N3O2/c15-11-4-2-1-3-10(11)7-14(21,13(16)5-6-13)8-19-12(20)17-9-18-19/h1-4,9,21H,5-8H2,(H,17,18,20)
InChIKey
DJTGRQXBACJYBN-UHFFFAOYSA-N
Compound name
2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-4H-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4
Patents

327.05414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06142 170.6
[M+Na]+ 350.04336 181.2
[M-H]- 326.04686 173.7
[M+NH4]+ 345.08796 179.4
[M+K]+ 366.01730 173.5
[M+H-H2O]+ 310.05140 163.3
[M+HCOO]- 372.05234 178.4
[M+CH3COO]- 386.06799 180.0
[M+Na-2H]- 348.02881 174.3
[M]+ 327.05359 174.4
[M]- 327.05469 174.4
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.