CID 473943

178979-24-3

Structural Information

Molecular Formula
C14H15Cl2FN2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CF)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H15Cl2FN2OS/c1-8(2)13-14(19(7-17)12(6-20)18-13)21-11-4-9(15)3-10(16)5-11/h3-5,8,20H,6-7H2,1-2H3
InChIKey
BFYLIGAPFMSTFQ-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-1-(fluoromethyl)-4-propan-2-ylimidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

348.0266 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03388 171.7
[M+Na]+ 371.01582 183.1
[M-H]- 347.01932 173.8
[M+NH4]+ 366.06042 186.4
[M+K]+ 386.98976 175.6
[M+H-H2O]+ 331.02386 165.0
[M+HCOO]- 393.02480 176.2
[M+CH3COO]- 407.04045 207.5
[M+Na-2H]- 369.00127 167.6
[M]+ 348.02605 177.7
[M]- 348.02715 177.7
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

No patent data available for this compound.