CID 44153024

71173-82-5

Structural Information

Molecular Formula
C11H11NO6S2
SMILES
CS(=O)(=O)NC1=CC=CC2=C1C=CC(=C2O)S(=O)(=O)O
InChI
InChI=1S/C11H11NO6S2/c1-19(14,15)12-9-4-2-3-8-7(9)5-6-10(11(8)13)20(16,17)18/h2-6,12-13H,1H3,(H,16,17,18)
InChIKey
JSJWKAXAKUALCY-UHFFFAOYSA-N
Compound name
1-hydroxy-5-(methanesulfonamido)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00278 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01006 164.3
[M+Na]+ 339.99200 172.7
[M-H]- 315.99550 165.8
[M+NH4]+ 335.03660 178.3
[M+K]+ 355.96594 167.4
[M+H-H2O]+ 300.00004 158.9
[M+HCOO]- 362.00098 173.7
[M+CH3COO]- 376.01663 197.7
[M+Na-2H]- 337.97745 171.2
[M]+ 317.00223 168.0
[M]- 317.00333 168.0
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.