CID 113121

1-naphthalenesulfonic acid, 5-hydroxy-4-nitroso-, monosodium salt

Structural Information

Molecular Formula
C10H7NO5S
SMILES
C1=CC2=C(C=CC(=C2C(=C1)O)N=O)S(=O)(=O)O
InChI
InChI=1S/C10H7NO5S/c12-8-3-1-2-6-9(17(14,15)16)5-4-7(11-13)10(6)8/h1-5,12H,(H,14,15,16)
InChIKey
CEJCWFXUEFQMPO-UHFFFAOYSA-N
Compound name
5-hydroxy-4-nitrosonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.00449 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01177 150.1
[M+Na]+ 275.99371 161.8
[M+NH4]+ 271.03831 156.9
[M+K]+ 291.96765 155.8
[M-H]- 251.99721 150.7
[M+Na-2H]- 273.97916 155.2
[M]+ 253.00394 152.2
[M]- 253.00504 152.2
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

No patent data available for this compound.