CID 135571117

86-31-7

Structural Information

Molecular Formula
C16H12N4O6S
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N
InChI
InChI=1S/C16H12N4O6S/c17-13-5-1-9-7-11(27(24,25)26)3-4-12(9)16(13)19-18-14-6-2-10(20(22)23)8-15(14)21/h1-8,21H,17H2,(H,24,25,26)
InChIKey
MJNWERMHICVLPP-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

388.04776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05504 178.7
[M+Na]+ 411.03698 184.7
[M-H]- 387.04048 186.0
[M+NH4]+ 406.08158 188.9
[M+K]+ 427.01092 176.5
[M+H-H2O]+ 371.04502 174.2
[M+HCOO]- 433.04596 199.2
[M+CH3COO]- 447.06161 217.2
[M+Na-2H]- 409.02243 188.4
[M]+ 388.04721 179.0
[M]- 388.04831 179.1
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