CID 473942

178979-23-2

Structural Information

Molecular Formula
C15H15Cl2F3N2OS
SMILES
CC(C)C1=C(N(C(=N1)CO)CC(F)(F)F)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H15Cl2F3N2OS/c1-8(2)13-14(24-11-4-9(16)3-10(17)5-11)22(7-15(18,19)20)12(6-23)21-13/h3-5,8,23H,6-7H2,1-2H3
InChIKey
QWHBPAKDNQRPIK-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(2,2,2-trifluoroethyl)imidazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

398.02344 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03072 180.5
[M+Na]+ 421.01266 191.7
[M-H]- 397.01616 180.1
[M+NH4]+ 416.05726 193.1
[M+K]+ 436.98660 183.7
[M+H-H2O]+ 381.02070 172.1
[M+HCOO]- 443.02164 181.1
[M+CH3COO]- 457.03729 215.4
[M+Na-2H]- 418.99811 175.9
[M]+ 398.02289 184.2
[M]- 398.02399 184.2
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

patents stripe