CID 5318

Sulconazole

Structural Information

Molecular Formula
C18H15Cl3N2S
SMILES
C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2S/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKey
AFNXATANNDIXLG-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

119
References

14880
Patents

396.00217 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00945 185.8
[M+Na]+ 418.99139 195.7
[M-H]- 394.99489 191.4
[M+NH4]+ 414.03599 198.3
[M+K]+ 434.96533 187.3
[M+H-H2O]+ 378.99943 177.7
[M+HCOO]- 441.00037 187.2
[M+CH3COO]- 455.01602 195.0
[M+Na-2H]- 416.97684 182.9
[M]+ 396.00162 191.6
[M]- 396.00272 191.6
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

patents stripe