CID 412053

2-naphthalenesulfonic acid, 5-nitro-, potassium salt

Structural Information

Molecular Formula
C10H7NO5S
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO5S/c12-11(13)10-3-1-2-7-6-8(17(14,15)16)4-5-9(7)10/h1-6H,(H,14,15,16)
InChIKey
ZAPHEIOXULZTDR-UHFFFAOYSA-N
Compound name
5-nitronaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

253.00449 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01177 145.8
[M+Na]+ 275.99371 158.7
[M+NH4]+ 271.03831 153.3
[M+K]+ 291.96765 154.9
[M-H]- 251.99721 147.8
[M+Na-2H]- 273.97916 151.5
[M]+ 253.00394 148.5
[M]- 253.00504 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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