CID 84117

Nsc 408471

Structural Information

Molecular Formula
C14H10N4O6S2
SMILES
C1=CC(=C(C=C1[N+]#N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+]#N)S(=O)(=O)O
InChI
InChI=1S/C14H8N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8H/p+2
InChIKey
LENCUDCCCFORSC-UHFFFAOYSA-P
Compound name
4-[2-(4-diazonio-2-sulfophenyl)ethenyl]-3-sulfobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

394.00418 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.01146 217.7
[M+Na]+ 416.99340 226.0
[M-H]- 392.99690 223.1
[M+NH4]+ 412.03800 223.7
[M+K]+ 432.96734 216.1
[M+H-H2O]+ 377.00144 204.8
[M+HCOO]- 439.00238 221.8
[M+CH3COO]- 453.01803 226.9
[M+Na-2H]- 414.97885 220.0
[M]+ 394.00363 209.5
[M]- 394.00473 209.5
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

patents stripe