CID 139597326

Hydroxy fenbuconazole

Structural Information

Molecular Formula
C19H17ClN4O
SMILES
C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)Cl)O)(CN3C=NC=N3)C#N
InChI
InChI=1S/C19H17ClN4O/c20-17-8-6-15(7-9-17)18(25)10-19(11-21,12-24-14-22-13-23-24)16-4-2-1-3-5-16/h1-9,13-14,18,25H,10,12H2
InChIKey
UMZLHZWPAMMSRJ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-4-hydroxy-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

352.1091 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11638 185.7
[M+Na]+ 375.09832 194.1
[M-H]- 351.10182 187.0
[M+NH4]+ 370.14292 193.8
[M+K]+ 391.07226 185.4
[M+H-H2O]+ 335.10636 168.0
[M+HCOO]- 397.10730 194.3
[M+CH3COO]- 411.12295 192.4
[M+Na-2H]- 373.08377 187.5
[M]+ 352.10855 180.8
[M]- 352.10965 180.8
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.