CID 5544082

Benzene, 1,1'-[dithiobis[nitrilo[(1e)-trifluoroethylidyne]]]bis-

Structural Information

Molecular Formula
C16H10F6N2S2
SMILES
C1=CC=C(C=C1)/C(=N\SS/N=C(/C(F)(F)F)\C2=CC=CC=C2)/C(F)(F)F
InChI
InChI=1S/C16H10F6N2S2/c17-15(18,19)13(11-7-3-1-4-8-11)23-25-26-24-14(16(20,21)22)12-9-5-2-6-10-12/h1-10H/b23-13+,24-14+
InChIKey
FJRMEXJAIPCPOO-RNIAWFEPSA-N
Compound name
(E)-2,2,2-trifluoro-1-phenyl-N-[[(E)-(2,2,2-trifluoro-1-phenylethylidene)amino]disulfanyl]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.01895 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.02623 182.0
[M+Na]+ 431.00817 188.3
[M-H]- 407.01167 182.0
[M+NH4]+ 426.05277 193.2
[M+K]+ 446.98211 181.0
[M+H-H2O]+ 391.01621 168.1
[M+HCOO]- 453.01715 188.7
[M+CH3COO]- 467.03280 224.8
[M+Na-2H]- 428.99362 182.5
[M]+ 408.01840 176.5
[M]- 408.01950 176.5
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.