CID 84395

14371-84-7

Structural Information

Molecular Formula
C14H12N2O6S2
SMILES
COC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O6S2/c1-21-9-3-5-13(11(7-9)15(17)18)23-24-14-6-4-10(22-2)8-12(14)16(19)20/h3-8H,1-2H3
InChIKey
GDPGXDPBJUYOJU-UHFFFAOYSA-N
Compound name
4-methoxy-1-[(4-methoxy-2-nitrophenyl)disulfanyl]-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

368.01367 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02095 180.4
[M+Na]+ 391.00289 184.3
[M-H]- 367.00639 186.2
[M+NH4]+ 386.04749 190.3
[M+K]+ 406.97683 171.2
[M+H-H2O]+ 351.01093 179.9
[M+HCOO]- 413.01187 194.7
[M+CH3COO]- 427.02752 202.6
[M+Na-2H]- 388.98834 184.7
[M]+ 368.01312 180.9
[M]- 368.01422 180.9
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

patents stripe