CID 4213610

353261-26-4

Structural Information

Molecular Formula
C15H11F3N2S
SMILES
C1=CC=C2C(=C1)NC(=N2)SCC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C15H11F3N2S/c16-15(17,18)11-5-3-4-10(8-11)9-21-14-19-12-6-1-2-7-13(12)20-14/h1-8H,9H2,(H,19,20)
InChIKey
MUZUYKAYBUZCPN-UHFFFAOYSA-N
Compound name
2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0595 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06678 164.4
[M+Na]+ 331.04872 175.9
[M-H]- 307.05222 165.1
[M+NH4]+ 326.09332 179.8
[M+K]+ 347.02266 168.2
[M+H-H2O]+ 291.05676 154.6
[M+HCOO]- 353.05770 176.9
[M+CH3COO]- 367.07335 175.3
[M+Na-2H]- 329.03417 167.5
[M]+ 308.05895 163.8
[M]- 308.06005 163.8
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.