CID 59452

Benzimidazole, 5,5'-dithiobis(6-chloro-2-(trifluoromethyl)-

Structural Information

Molecular Formula
C16H6Cl2F6N4S2
SMILES
C1=C2C(=CC(=C1Cl)SSC3=C(C=C4C(=C3)N=C(N4)C(F)(F)F)Cl)N=C(N2)C(F)(F)F
InChI
InChI=1S/C16H6Cl2F6N4S2/c17-5-1-7-9(27-13(25-7)15(19,20)21)3-11(5)29-30-12-4-10-8(2-6(12)18)26-14(28-10)16(22,23)24/h1-4H,(H,25,27)(H,26,28)
InChIKey
RBHOHJRBYLTTGS-UHFFFAOYSA-N
Compound name
6-chloro-5-[[6-chloro-2-(trifluoromethyl)-1H-benzimidazol-5-yl]disulfanyl]-2-(trifluoromethyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.93152 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.93880 193.1
[M+Na]+ 524.92074 199.4
[M+NH4]+ 519.96534 195.0
[M+K]+ 540.89468 194.9
[M-H]- 500.92424 187.4
[M+Na-2H]- 522.90619 193.3
[M]+ 501.93097 192.9
[M]- 501.93207 192.9
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.