CID 177546100

Difenoconazole-tp2

Structural Information

Molecular Formula
C19H18ClN3O3
SMILES
CC1COC(O1)(CN2C=NC=N2)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H18ClN3O3/c1-14-10-24-19(26-14,11-23-13-21-12-22-23)15-2-6-17(7-3-15)25-18-8-4-16(20)5-9-18/h2-9,12-14H,10-11H2,1H3
InChIKey
RVYMADFKKYNZFU-UHFFFAOYSA-N
Compound name
1-[[2-[4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

371.10367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11095 183.9
[M+Na]+ 394.09289 192.9
[M-H]- 370.09639 194.3
[M+NH4]+ 389.13749 194.9
[M+K]+ 410.06683 189.7
[M+H-H2O]+ 354.10093 173.5
[M+HCOO]- 416.10187 197.7
[M+CH3COO]- 430.11752 194.6
[M+Na-2H]- 392.07834 184.8
[M]+ 371.10312 188.5
[M]- 371.10422 188.5
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.