CID 395916

Nsc701011

Structural Information

Molecular Formula
C15H8Cl2F2N2S
SMILES
C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4Cl)Cl)F)F
InChI
InChI=1S/C15H8Cl2F2N2S/c16-7-2-1-3-8(17)14(7)15-21-12-5-10(19)9(18)4-11(12)20-13(21)6-22-15/h1-5,15H,6H2
InChIKey
PJLIXBWBUQRGNL-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-6,7-difluoro-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.97534 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.98262 174.9
[M+Na]+ 378.96456 190.9
[M-H]- 354.96806 179.7
[M+NH4]+ 374.00916 194.0
[M+K]+ 394.93850 182.4
[M+H-H2O]+ 338.97260 167.8
[M+HCOO]- 400.97354 181.0
[M+CH3COO]- 414.98919 187.1
[M+Na-2H]- 376.95001 172.8
[M]+ 355.97479 181.2
[M]- 355.97589 181.2
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.