CID 13296

4-ethylsulfonylnaphthalene-1-sulfonamide

Structural Information

Molecular Formula
C12H13NO4S2
SMILES
CCS(=O)(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)N
InChI
InChI=1S/C12H13NO4S2/c1-2-18(14,15)11-7-8-12(19(13,16)17)10-6-4-3-5-9(10)11/h3-8H,2H2,1H3,(H2,13,16,17)
InChIKey
BLQOLXMZXQXGOL-UHFFFAOYSA-N
Compound name
4-ethylsulfonylnaphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

299.0286 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.03588 163.7
[M+Na]+ 322.01782 172.8
[M-H]- 298.02132 167.4
[M+NH4]+ 317.06242 179.8
[M+K]+ 337.99176 167.2
[M+H-H2O]+ 282.02586 157.9
[M+HCOO]- 344.02680 174.9
[M+CH3COO]- 358.04245 198.8
[M+Na-2H]- 320.00327 169.4
[M]+ 299.02805 167.3
[M]- 299.02915 167.3
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