CID 362617

136995-00-1

Structural Information

Molecular Formula
C16H11F3N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C16H11F3N2S/c17-16(18,19)11-6-2-1-5-10(11)15-21-13-8-4-3-7-12(13)20-14(21)9-22-15/h1-8,15H,9H2
InChIKey
XRQBDCFVJBPNHH-UHFFFAOYSA-N
Compound name
1-[2-(trifluoromethyl)phenyl]-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0595 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06678 169.0
[M+Na]+ 343.04872 181.9
[M-H]- 319.05222 172.8
[M+NH4]+ 338.09332 187.7
[M+K]+ 359.02266 175.3
[M+H-H2O]+ 303.05676 160.2
[M+HCOO]- 365.05770 182.2
[M+CH3COO]- 379.07335 180.9
[M+Na-2H]- 341.03417 170.2
[M]+ 320.05895 169.9
[M]- 320.06005 169.9
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.