CID 395915

Nsc701010

Structural Information

Molecular Formula
C15H8F4N2S
SMILES
C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4F)F)F)F
InChI
InChI=1S/C15H8F4N2S/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
BIZXFFWRCXLUBD-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-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

324.03442 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.04170 165.4
[M+Na]+ 347.02364 180.8
[M-H]- 323.02714 168.6
[M+NH4]+ 342.06824 184.5
[M+K]+ 362.99758 173.3
[M+H-H2O]+ 307.03168 156.0
[M+HCOO]- 369.03262 179.2
[M+CH3COO]- 383.04827 177.9
[M+Na-2H]- 345.00909 163.7
[M]+ 324.03387 166.7
[M]- 324.03497 166.7
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.