CID 318493

4,4'-dithiobis(3-nitrobenzenesulfonamide)

Structural Information

Molecular Formula
C12H10N4O8S4
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])SSC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C12H10N4O8S4/c13-27(21,22)7-1-3-11(9(5-7)15(17)18)25-26-12-4-2-8(28(14,23)24)6-10(12)16(19)20/h1-6H,(H2,13,21,22)(H2,14,23,24)
InChIKey
BMNWYRSTEGXYJW-UHFFFAOYSA-N
Compound name
3-nitro-4-[(2-nitro-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

465.93814 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.94542 196.0
[M+Na]+ 488.92736 195.3
[M-H]- 464.93086 196.1
[M+NH4]+ 483.97196 198.0
[M+K]+ 504.90130 176.5
[M+H-H2O]+ 448.93540 193.4
[M+HCOO]- 510.93634 196.7
[M+CH3COO]- 524.95199 215.3
[M+Na-2H]- 486.91281 207.6
[M]+ 465.93759 185.4
[M]- 465.93869 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.