CID 395912

Nsc701007

Structural Information

Molecular Formula
C15H9F3N2S
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)F
InChI
InChI=1S/C15H9F3N2S/c16-8-4-5-12-11(6-8)19-13-7-21-15(20(12)13)14-9(17)2-1-3-10(14)18/h1-6,15H,7H2
InChIKey
XKQKZYHNFBUGJV-UHFFFAOYSA-N
Compound name
1-(2,6-difluorophenyl)-6-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

306.04385 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05113 162.6
[M+Na]+ 329.03307 177.2
[M-H]- 305.03657 166.9
[M+NH4]+ 324.07767 182.3
[M+K]+ 345.00701 170.2
[M+H-H2O]+ 289.04111 153.9
[M+HCOO]- 351.04205 177.6
[M+CH3COO]- 365.05770 175.4
[M+Na-2H]- 327.01852 162.1
[M]+ 306.04330 164.5
[M]- 306.04440 164.5
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.