CID 3019591

Sodium 7-acetamidonaphthalene-1-sulphonate

Structural Information

Molecular Formula
C12H11NO4S
SMILES
CC(=O)NC1=CC2=C(C=CC=C2S(=O)(=O)O)C=C1
InChI
InChI=1S/C12H11NO4S/c1-8(14)13-10-6-5-9-3-2-4-12(11(9)7-10)18(15,16)17/h2-7H,1H3,(H,13,14)(H,15,16,17)
InChIKey
IQBZRZXJPYXCDP-UHFFFAOYSA-N
Compound name
7-acetamidonaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

265.0409 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.048176 154.0
[M+Na]+ 288.030118 162.5
[M-H]- 264.033624 157.7
[M+NH4]+ 283.074723 171.2
[M+K]+ 304.004058 158.7
[M+H-H2O]+ 248.038160 148.3
[M+HCOO]- 310.039101 170.5
[M+CH3COO]- 324.054751 192.9
[M+Na-2H]- 286.015566 159.9
[M]+ 265.04035142 156.8
[M]- 265.04144858 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

patents stripe