CID 474025

178980-06-8

Structural Information

Molecular Formula
C13H14Cl2N2O2S
SMILES
CC(C)C1=C(N=C(N1)CO)S(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O2S/c1-7(2)12-13(17-11(6-18)16-12)20(19)10-4-8(14)3-9(15)5-10/h3-5,7,18H,6H2,1-2H3,(H,16,17)
InChIKey
FGOGPGFFTGCMAW-UHFFFAOYSA-N
Compound name
[4-(3,5-dichlorophenyl)sulfinyl-5-propan-2-yl-1H-imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

332.0153 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02258 168.0
[M+Na]+ 355.00452 178.2
[M-H]- 331.00802 170.2
[M+NH4]+ 350.04912 182.2
[M+K]+ 370.97846 171.1
[M+H-H2O]+ 315.01256 162.7
[M+HCOO]- 377.01350 171.8
[M+CH3COO]- 391.02915 200.8
[M+Na-2H]- 352.98997 164.3
[M]+ 332.01475 172.6
[M]- 332.01585 172.6
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

No patent data available for this compound.