CID 91693

Penconazole

Structural Information

Molecular Formula
C13H15Cl2N3
SMILES
CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
InChIKey
WKBPZYKAUNRMKP-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

132
References

75724
Patents

283.0643 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07158 162.1
[M+Na]+ 306.05352 171.5
[M-H]- 282.05702 163.7
[M+NH4]+ 301.09812 176.9
[M+K]+ 322.02746 165.1
[M+H-H2O]+ 266.06156 152.9
[M+HCOO]- 328.06250 172.4
[M+CH3COO]- 342.07815 172.9
[M+Na-2H]- 304.03897 163.8
[M]+ 283.06375 165.9
[M]- 283.06485 165.9
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.