CID 383938

Nsc672903

Structural Information

Molecular Formula
C16H11F3N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)(C4=CC=CC=C4)C(F)(F)F
InChI
InChI=1S/C16H11F3N2S/c17-16(18,19)15(11-6-2-1-3-7-11)21-13-9-5-4-8-12(13)20-14(21)10-22-15/h1-9H,10H2
InChIKey
AEDWGXDMNJOYFH-UHFFFAOYSA-N
Compound name
1-phenyl-1-(trifluoromethyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0595 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06678 168.9
[M+Na]+ 343.04872 182.0
[M-H]- 319.05222 172.6
[M+NH4]+ 338.09332 189.4
[M+K]+ 359.02266 175.5
[M+H-H2O]+ 303.05676 159.9
[M+HCOO]- 365.05770 182.2
[M+CH3COO]- 379.07335 180.9
[M+Na-2H]- 341.03417 172.1
[M]+ 320.05895 169.7
[M]- 320.06005 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.