CID 105956

67875-32-5

Structural Information

Molecular Formula
C16H11N4O6S2
SMILES
C1=CC(=CC=C1N=NC2=C3C=C(C=CC3=C(C=C2)[N+]#N)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H10N4O6S2/c17-18-15-7-8-16(14-9-12(28(24,25)26)5-6-13(14)15)20-19-10-1-3-11(4-2-10)27(21,22)23/h1-9H,(H-,21,22,23,24,25,26)/p+1
InChIKey
MQMIDGRQGZAWDD-UHFFFAOYSA-O
Compound name
6-sulfo-4-[(4-sulfophenyl)diazenyl]naphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.01928 212.4
[M+Na]+ 442.00122 221.6
[M-H]- 418.00472 219.5
[M+NH4]+ 437.04582 221.2
[M+K]+ 457.97516 211.7
[M+H-H2O]+ 402.00926 200.0
[M+HCOO]- 464.01020 223.4
[M+CH3COO]- 478.02585 227.0
[M+Na-2H]- 439.98667 221.3
[M]+ 419.01145 210.3
[M]- 419.01255 210.3
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.