CID 41368

Triadimenol

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
InChIKey
BAZVSMNPJJMILC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

299
References

56733
Patents

295.10876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.116036 167.1
[M+Na]+ 318.097978 174.4
[M-H]- 294.101484 168.6
[M+NH4]+ 313.142583 180.1
[M+K]+ 334.071918 170.4
[M+H-H2O]+ 278.106020 158.6
[M+HCOO]- 340.106961 178.9
[M+CH3COO]- 354.122611 197.8
[M+Na-2H]- 316.083426 169.5
[M]+ 295.10821142 169.9
[M]- 295.10930858 169.9
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