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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	372.110946	183.9
[M+Na]+	394.092888	192.9
[M-H]-	370.096394	194.3
[M+NH4]+	389.137493	194.9
[M+K]+	410.066828	189.7
[M+H-H2O]+	354.100930	173.5
[M+HCOO]-	416.101871	197.7
[M+CH3COO]-	430.117521	194.6
[M+Na-2H]-	392.078336	184.8
[M]+	371.10312142	188.5
[M]-	371.10421858	188.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.