CID 94123

58596-06-8

Structural Information

Molecular Formula
C13H15NO10S4
SMILES
CS(=O)(=O)N(C1=CC=CC2=C1C=CC(=C2OS(=O)(=O)C)S(=O)(=O)O)S(=O)(=O)C
InChI
InChI=1S/C13H15NO10S4/c1-25(15,16)14(26(2,17)18)11-6-4-5-10-9(11)7-8-12(28(21,22)23)13(10)24-27(3,19)20/h4-8H,1-3H3,(H,21,22,23)
InChIKey
XXAMKLAINZGTGI-UHFFFAOYSA-N
Compound name
5-[bis(methylsulfonyl)amino]-1-methylsulfonyloxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

472.9579 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.96518 204.5
[M+Na]+ 495.94712 208.7
[M+NH4]+ 490.99172 206.1
[M+K]+ 511.92106 203.1
[M-H]- 471.95062 200.1
[M+Na-2H]- 493.93257 204.9
[M]+ 472.95735 205.2
[M]- 472.95845 205.2
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

patents stripe