CID 155884395

Prothioconazole tp1

Structural Information

Molecular Formula
C15H19Cl2N3OS
SMILES
CSC1N=CNN1CC(CC2=CC=CC=C2Cl)(C3(CC3)Cl)O
InChI
InChI=1S/C15H19Cl2N3OS/c1-22-13-18-10-19-20(13)9-15(21,14(17)6-7-14)8-11-4-2-3-5-12(11)16/h2-5,10,13,21H,6-9H2,1H3,(H,18,19)
InChIKey
BQDGNJSCJRFYQN-UHFFFAOYSA-N
Compound name
2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(3-methylsulfanyl-1,3-dihydro-1,2,4-triazol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

359.0626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.06988 172.6
[M+Na]+ 382.05182 181.6
[M-H]- 358.05532 175.3
[M+NH4]+ 377.09642 180.9
[M+K]+ 398.02576 174.3
[M+H-H2O]+ 342.05986 166.1
[M+HCOO]- 404.06080 174.1
[M+CH3COO]- 418.07645 180.9
[M+Na-2H]- 380.03727 172.9
[M]+ 359.06205 176.8
[M]- 359.06315 176.8
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.