CID 6367278

1-naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, ester with 2,2'-thiobis(1-naphthalenol)

Structural Information

Molecular Formula
C10H7N2O4S
SMILES
C1=CC2=C(C=C[C@H](C2=O)[N+]#N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H6N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,8H/p+1/t8-/m1/s1
InChIKey
MRNTWODSIRBVJF-MRVPVSSYSA-O
Compound name
(2R)-1-oxo-5-sulfo-2H-naphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.01265 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01993 146.5
[M+Na]+ 274.00187 159.1
[M+NH4]+ 269.04647 151.4
[M+K]+ 289.97581 150.6
[M-H]- 250.00537 142.0
[M+Na-2H]- 271.98732 150.2
[M]+ 251.01210 146.8
[M]- 251.01320 146.8
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