CID 106347

68003-35-0

Structural Information

Molecular Formula
C16H13NO6S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)OC2=C3C=CC(=CC3=CC(=C2)S(=O)(=O)O)N
InChI
InChI=1S/C16H13NO6S2/c17-12-6-7-15-11(8-12)9-14(24(18,19)20)10-16(15)23-25(21,22)13-4-2-1-3-5-13/h1-10H,17H2,(H,18,19,20)
InChIKey
PPVNWBFBLLPFQJ-UHFFFAOYSA-N
Compound name
7-amino-4-(benzenesulfonyloxy)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.01843 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.02571 180.5
[M+Na]+ 402.00765 191.8
[M+NH4]+ 397.05225 186.4
[M+K]+ 417.98159 184.1
[M-H]- 378.01115 182.4
[M+Na-2H]- 399.99310 187.0
[M]+ 379.01788 183.5
[M]- 379.01898 183.5
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