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

literature stripe

Patent stripe

patents stripe