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 195.1
[M+Na]+ 524.92074 211.9
[M-H]- 500.92424 191.2
[M+NH4]+ 519.96534 205.1
[M+K]+ 540.89468 200.8
[M+H-H2O]+ 484.92878 186.2
[M+HCOO]- 546.92972 187.0
[M+CH3COO]- 560.94537 202.6
[M+Na-2H]- 522.90619 193.3
[M]+ 501.93097 198.2
[M]- 501.93207 198.2
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.