CID 235551

6272-21-5

Structural Information

Molecular Formula
C12H11NO4S
SMILES
CC(=O)NC1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O
InChI
InChI=1S/C12H11NO4S/c1-8(14)13-12-4-2-3-9-7-10(18(15,16)17)5-6-11(9)12/h2-7H,1H3,(H,13,14)(H,15,16,17)
InChIKey
CURUHHBCJWGOPD-UHFFFAOYSA-N
Compound name
5-acetamidonaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

36
Patents

265.0409 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 154.0
[M+Na]+ 288.03012 162.5
[M-H]- 264.03362 157.7
[M+NH4]+ 283.07472 171.2
[M+K]+ 304.00406 158.7
[M+H-H2O]+ 248.03816 148.3
[M+HCOO]- 310.03910 170.5
[M+CH3COO]- 324.05475 192.9
[M+Na-2H]- 286.01557 159.9
[M]+ 265.04035 156.8
[M]- 265.04145 156.8
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.