CID 384824

7-chloro-1-(2,6-difluorophenyl)-1h,3h-thiazolo(3,4-a)benzimidazole

Structural Information

Molecular Formula
C15H9ClF2N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)Cl
InChI
InChI=1S/C15H9ClF2N2S/c16-8-4-5-11-12(6-8)20-13(19-11)7-21-15(20)14-9(17)2-1-3-10(14)18/h1-6,15H,7H2
InChIKey
AYHMQULRXBSYMV-UHFFFAOYSA-N
Compound name
7-chloro-1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.0143 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.02158 167.7
[M+Na]+ 345.00352 182.9
[M-H]- 321.00702 173.1
[M+NH4]+ 340.04812 187.7
[M+K]+ 360.97746 175.1
[M+H-H2O]+ 305.01156 160.2
[M+HCOO]- 367.01250 179.0
[M+CH3COO]- 381.02815 180.6
[M+Na-2H]- 342.98897 167.2
[M]+ 322.01375 172.6
[M]- 322.01485 172.6
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.