CID 3384235

83784-14-9

Structural Information

Molecular Formula
C16H10ClN3O7S
SMILES
C1=CC2=C(C=CC(=C2O)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])Cl)O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C16H10ClN3O7S/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27/h1-7,21-22H,(H,25,26,27)
InChIKey
PLPTZWWIXGTJFI-UHFFFAOYSA-N
Compound name
6-[(3-chloro-2-hydroxy-5-nitrophenyl)diazenyl]-5-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.9928 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.00008 186.1
[M+Na]+ 445.98202 193.3
[M-H]- 421.98552 192.9
[M+NH4]+ 441.02662 195.8
[M+K]+ 461.95596 184.5
[M+H-H2O]+ 405.99006 183.5
[M+HCOO]- 467.99100 200.6
[M+CH3COO]- 482.00665 217.3
[M+Na-2H]- 443.96747 194.8
[M]+ 422.99225 190.5
[M]- 422.99335 190.5
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

No patent data available for this compound.