CID 136086413

72829-18-6

Structural Information

Molecular Formula
C16H10N4O9S
SMILES
C1=CC2=C(C=CC(=C2O)N=NC3=C(C=C(C=C3O)[N+](=O)[O-])[N+](=O)[O-])C(=C1)S(=O)(=O)O
InChI
InChI=1S/C16H10N4O9S/c21-13-7-8(19(23)24)6-12(20(25)26)15(13)18-17-11-5-4-9-10(16(11)22)2-1-3-14(9)30(27,28)29/h1-7,21-22H,(H,27,28,29)
InChIKey
XFMSBLQZXXLNTJ-UHFFFAOYSA-N
Compound name
5-hydroxy-6-[(2-hydroxy-4,6-dinitrophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.01685 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.02413 186.0
[M+Na]+ 457.00607 189.1
[M-H]- 433.00957 192.0
[M+NH4]+ 452.05067 192.1
[M+K]+ 472.98001 177.8
[M+H-H2O]+ 417.01411 185.2
[M+HCOO]- 479.01505 204.3
[M+CH3COO]- 493.03070 214.8
[M+Na-2H]- 454.99152 198.3
[M]+ 434.01630 185.0
[M]- 434.01740 185.0
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.