CID 44188

Tiflamizole

Structural Information

Molecular Formula
C17H10F6N2O2S
SMILES
C1=CC(=CC=C1C2=C(N=C(N2)S(=O)(=O)C(C(F)F)(F)F)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C17H10F6N2O2S/c18-11-5-1-9(2-6-11)13-14(10-3-7-12(19)8-4-10)25-16(24-13)28(26,27)17(22,23)15(20)21/h1-8,15H,(H,24,25)
InChIKey
XUOAKFNMJMYKBY-UHFFFAOYSA-N
Compound name
4,5-bis(4-fluorophenyl)-2-(1,1,2,2-tetrafluoroethylsulfonyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

888
Patents

420.0367 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.043976 186.9
[M+Na]+ 443.025918 197.8
[M-H]- 419.029424 186.3
[M+NH4]+ 438.070523 195.9
[M+K]+ 458.999858 189.7
[M+H-H2O]+ 403.033960 174.0
[M+HCOO]- 465.034901 193.5
[M+CH3COO]- 479.050551 218.4
[M+Na-2H]- 441.011366 184.8
[M]+ 420.03615142 181.8
[M]- 420.03724858 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe