CID 77257

3682-32-4

Structural Information

Molecular Formula
C10H7NO5S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=O)S(=O)(=O)O
InChI
InChI=1S/C10H7NO5S/c12-10-7-4-2-1-3-6(7)9(17(14,15)16)5-8(10)11-13/h1-5,12H,(H,14,15,16)
InChIKey
GASPSNIEUBWWJU-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrosonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

212
Patents

253.00449 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe