CID 473944

[5-(3,5-dichlorophenyl)sulfanyl-1-(2-fluoroethyl)-4-isopropyl-imidazol-2-yl]methanol

Structural Information

Molecular Formula
C15H17Cl2FN2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CCF)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H17Cl2FN2OS/c1-9(2)14-15(20(4-3-18)13(8-21)19-14)22-12-6-10(16)5-11(17)7-12/h5-7,9,21H,3-4,8H2,1-2H3
InChIKey
LKKLRAUFNPVUMI-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(2-fluoroethyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.04227 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04955 176.1
[M+Na]+ 385.03149 187.0
[M-H]- 361.03499 178.0
[M+NH4]+ 380.07609 190.2
[M+K]+ 401.00543 179.3
[M+H-H2O]+ 345.03953 169.2
[M+HCOO]- 407.04047 180.2
[M+CH3COO]- 421.05612 210.4
[M+Na-2H]- 383.01694 171.5
[M]+ 362.04172 182.4
[M]- 362.04282 182.4
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.