CID 474650

1-(2-chloro-6-fluoro-phenyl)-7-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole

Structural Information

Molecular Formula
C16H9ClF4N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)F)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H9ClF4N2S/c17-9-2-1-3-10(18)14(9)15-23-12-6-8(16(19,20)21)4-5-11(12)22-13(23)7-24-15/h1-6,15H,7H2
InChIKey
LQVATNGUCMATQX-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)-7-(trifluoromethyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.0111 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01838 179.1
[M+Na]+ 395.00032 194.2
[M-H]- 371.00382 181.9
[M+NH4]+ 390.04492 196.9
[M+K]+ 410.97426 185.7
[M+H-H2O]+ 355.00836 170.0
[M+HCOO]- 417.00930 186.4
[M+CH3COO]- 431.02495 190.4
[M+Na-2H]- 392.98577 177.9
[M]+ 372.01055 181.8
[M]- 372.01165 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

No patent data available for this compound.