CID 474647

1-(2,6-difluorophenyl)-6-(trifluoromethyl)-1h,3h-benzo[4,5]imidazo[1,2-c]thiazole

Structural Information

Molecular Formula
C16H9F5N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C16H9F5N2S/c17-9-2-1-3-10(18)14(9)15-23-12-5-4-8(16(19,20)21)6-11(12)22-13(23)7-24-15/h1-6,15H,7H2
InChIKey
FEWMJLHUMQWSNW-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-6-(trifluoromethyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
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

patents stripe