CID 395913

Nsc701008

Structural Information

Molecular Formula
C15H9Cl2FN2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)F
InChI
InChI=1S/C15H9Cl2FN2S/c16-9-2-1-3-10(17)14(9)15-20-12-6-8(18)4-5-11(12)19-13(20)7-21-15/h1-6,15H,7H2
InChIKey
BBAZKTBJJLEVBN-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-7-fluoro-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.98474 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.99202 173.1
[M+Na]+ 360.97396 188.3
[M-H]- 336.97746 179.0
[M+NH4]+ 356.01856 192.7
[M+K]+ 376.94790 180.2
[M+H-H2O]+ 320.98200 166.6
[M+HCOO]- 382.98294 180.2
[M+CH3COO]- 396.99859 185.5
[M+Na-2H]- 358.95941 172.1
[M]+ 337.98419 179.8
[M]- 337.98529 179.8
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.