CID 474643

1-(2-chloro-6-fluorophenyl)-5-methyl-1h,3h-thiazolo[3,4-a]benzimidazole

Structural Information

Molecular Formula
C16H12ClFN2S
SMILES
CC1=C2C(=CC=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C16H12ClFN2S/c1-9-4-2-7-12-15(9)19-13-8-21-16(20(12)13)14-10(17)5-3-6-11(14)18/h2-7,16H,8H2,1H3
InChIKey
SPAPMXHYGDYYEU-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluorophenyl)-5-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.03937 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04665 170.5
[M+Na]+ 341.02859 185.3
[M-H]- 317.03209 177.1
[M+NH4]+ 336.07319 190.7
[M+K]+ 357.00253 177.6
[M+H-H2O]+ 301.03663 163.7
[M+HCOO]- 363.03757 182.5
[M+CH3COO]- 377.05322 183.5
[M+Na-2H]- 339.01404 169.9
[M]+ 318.03882 176.6
[M]- 318.03992 176.6
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.