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 161.3
[M+Na]+ 274.00187 172.8
[M-H]- 250.00537 166.4
[M+NH4]+ 269.04647 177.6
[M+K]+ 289.97581 163.9
[M+H-H2O]+ 234.00991 151.8
[M+HCOO]- 296.01085 175.6
[M+CH3COO]- 310.02650 196.4
[M+Na-2H]- 271.98732 168.7
[M]+ 251.01210 157.7
[M]- 251.01320 157.7
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