CID 59453

Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-

Structural Information

Molecular Formula
C16H8F6N4S2
SMILES
C1=CC2=C(C=C1SSC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)NC(=N2)C(F)(F)F
InChI
InChI=1S/C16H8F6N4S2/c17-15(18,19)13-23-9-3-1-7(5-11(9)25-13)27-28-8-2-4-10-12(6-8)26-14(24-10)16(20,21)22/h1-6H,(H,23,25)(H,24,26)
InChIKey
BJIWXWHVTJMLCI-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]disulfanyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

434.00946 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.01674 185.8
[M+Na]+ 456.99868 201.3
[M-H]- 433.00218 181.7
[M+NH4]+ 452.04328 196.8
[M+K]+ 472.97262 191.1
[M+H-H2O]+ 417.00672 176.2
[M+HCOO]- 479.00766 187.1
[M+CH3COO]- 493.02331 194.1
[M+Na-2H]- 454.98413 186.1
[M]+ 434.00891 185.4
[M]- 434.01001 185.4
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.