CID 105946

67875-26-7

Structural Information

Molecular Formula
C16H13N3O6S2
SMILES
C1=CC(=CC=C1N)N=NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H13N3O6S2/c17-11-1-3-12(4-2-11)18-19-13-5-6-15-10(7-13)8-14(26(20,21)22)9-16(15)27(23,24)25/h1-9H,17H2,(H,20,21,22)(H,23,24,25)
InChIKey
SDYZWSAJYSQHHK-UHFFFAOYSA-N
Compound name
6-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.02457 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.03185 186.6
[M+Na]+ 430.01379 196.1
[M+NH4]+ 425.05839 191.4
[M+K]+ 445.98773 189.1
[M-H]- 406.01729 189.1
[M+Na-2H]- 427.99924 193.0
[M]+ 407.02402 189.3
[M]- 407.02512 189.3
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.