CID 53309

Diclobutrazol

Structural Information

Molecular Formula
C15H19Cl2N3O
SMILES
CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O
InChI
InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3
InChIKey
URDNHJIVMYZFRT-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

15505
Patents

327.0905 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09778 173.9
[M+Na]+ 350.07972 182.1
[M-H]- 326.08322 174.9
[M+NH4]+ 345.12432 186.5
[M+K]+ 366.05366 176.0
[M+H-H2O]+ 310.08776 165.8
[M+HCOO]- 372.08870 180.0
[M+CH3COO]- 386.10435 204.2
[M+Na-2H]- 348.06517 174.2
[M]+ 327.08995 177.1
[M]- 327.09105 177.1
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