CID 474026

178980-07-9

Structural Information

Molecular Formula
C13H14Cl2N2O3S
SMILES
CC(C)C1=C(N=C(N1)CO)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2O3S/c1-7(2)12-13(17-11(6-18)16-12)21(19,20)10-4-8(14)3-9(15)5-10/h3-5,7,18H,6H2,1-2H3,(H,16,17)
InChIKey
UZBMAVAQARKNNU-UHFFFAOYSA-N
Compound name
[4-(3,5-dichlorophenyl)sulfonyl-5-propan-2-yl-1H-imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.01022 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.01750 173.1
[M+Na]+ 370.99944 183.9
[M-H]- 347.00294 175.7
[M+NH4]+ 366.04404 186.6
[M+K]+ 386.97338 176.8
[M+H-H2O]+ 331.00748 168.1
[M+HCOO]- 393.00842 176.7
[M+CH3COO]- 407.02407 201.7
[M+Na-2H]- 368.98489 171.4
[M]+ 348.00967 178.3
[M]- 348.01077 178.3
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.