CID 8353

Nsc 37080

Structural Information

Molecular Formula
C12H13NO4S
SMILES
CCOC1=CC(=C2C=CC(=CC2=C1)S(=O)(=O)O)N
InChI
InChI=1S/C12H13NO4S/c1-2-17-9-5-8-6-10(18(14,15)16)3-4-11(8)12(13)7-9/h3-7H,2,13H2,1H3,(H,14,15,16)
InChIKey
UCAVAHQRGOTNJB-UHFFFAOYSA-N
Compound name
5-amino-7-ethoxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

267.05652 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06380 156.3
[M+Na]+ 290.04574 167.7
[M+NH4]+ 285.09034 163.5
[M+K]+ 306.01968 161.0
[M-H]- 266.04924 157.4
[M+Na-2H]- 288.03119 161.0
[M]+ 267.05597 158.6
[M]- 267.05707 158.6
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.