CID 88584

20541-54-2

Structural Information

Molecular Formula
C10H7N2O4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2[N+]#N)O)S(=O)(=O)O
InChI
InChI=1S/C10H6N2O4S/c11-12-10-7-4-2-1-3-6(7)9(5-8(10)13)17(14,15)16/h1-5H,(H-,13,14,15,16)/p+1
InChIKey
QHIBNGIZPPHJAT-UHFFFAOYSA-O
Compound name
2-hydroxy-4-sulfonaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

25
Patents

251.01265 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01993 162.2
[M+Na]+ 274.00187 173.9
[M-H]- 250.00537 166.3
[M+NH4]+ 269.04647 178.0
[M+K]+ 289.97581 164.8
[M+H-H2O]+ 234.00991 152.8
[M+HCOO]- 296.01085 176.2
[M+CH3COO]- 310.02650 194.7
[M+Na-2H]- 271.98732 169.9
[M]+ 251.01210 158.8
[M]- 251.01320 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe