CID 177822

Sulconazole sulfoxide

Structural Information

Molecular Formula
C18H15Cl3N2OS
SMILES
C1=CC(=CC=C1CS(=O)C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2OS/c19-14-3-1-13(2-4-14)11-25(24)18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKey
GGLXOBRBVWGRHW-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)methylsulfinyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.99707 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.00435 187.6
[M+Na]+ 434.98629 197.1
[M-H]- 410.98979 193.5
[M+NH4]+ 430.03089 199.3
[M+K]+ 450.96023 189.3
[M+H-H2O]+ 394.99433 179.8
[M+HCOO]- 456.99527 188.5
[M+CH3COO]- 471.01092 196.6
[M+Na-2H]- 432.97174 184.1
[M]+ 411.99652 193.7
[M]- 411.99762 193.7
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

patents stripe