CID 474648

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

Structural Information

Molecular Formula
C16H9F5N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H9F5N2S/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
NVKRWTUAJJPJEB-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-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

356.04065 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04793 174.7
[M+Na]+ 379.02987 189.2
[M-H]- 355.03337 176.4
[M+NH4]+ 374.07447 192.3
[M+K]+ 395.00381 181.6
[M+H-H2O]+ 339.03791 164.5
[M+HCOO]- 401.03885 185.6
[M+CH3COO]- 415.05450 185.9
[M+Na-2H]- 377.01532 173.5
[M]+ 356.04010 174.3
[M]- 356.04120 174.3
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.