CID 104790

Lucifer yellow

Structural Information

Molecular Formula
C13H10N4O9S2
SMILES
C1=C(C=C2C3=C1C(=C(C=C3C(=O)N(C2=O)C(=O)NN)S(=O)(=O)O)N)S(=O)(=O)O
InChI
InChI=1S/C13H10N4O9S2/c14-10-5-1-4(27(21,22)23)2-6-9(5)7(3-8(10)28(24,25)26)12(19)17(11(6)18)13(20)16-15/h1-3H,14-15H2,(H,16,20)(H,21,22,23)(H,24,25,26)
InChIKey
BWLXPDSCKRCNGX-UHFFFAOYSA-N
Compound name
6-amino-2-(hydrazinecarbonyl)-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1655
References

21578
Patents

429.98892 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.99620 186.9
[M+Na]+ 452.97814 191.6
[M+NH4]+ 448.02274 188.0
[M+K]+ 468.95208 189.7
[M-H]- 428.98164 182.9
[M+Na-2H]- 450.96359 185.5
[M]+ 429.98837 186.5
[M]- 429.98947 186.5
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

patents stripe