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

56250
Patents

295.10876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 167.1
[M+Na]+ 318.09798 174.4
[M-H]- 294.10148 168.6
[M+NH4]+ 313.14258 180.1
[M+K]+ 334.07192 170.4
[M+H-H2O]+ 278.10602 158.6
[M+HCOO]- 340.10696 178.9
[M+CH3COO]- 354.12261 197.8
[M+Na-2H]- 316.08343 169.5
[M]+ 295.10821 169.9
[M]- 295.10931 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.