CID 49768594

N-acetonyl-2-(dichloroamino)-2-methyl-propane-1-sulfonamide

Structural Information

Molecular Formula
C7H14Cl2N2O3S
SMILES
CC(=O)CNS(=O)(=O)CC(C)(C)N(Cl)Cl
InChI
InChI=1S/C7H14Cl2N2O3S/c1-6(12)4-10-15(13,14)5-7(2,3)11(8)9/h10H,4-5H2,1-3H3
InChIKey
DIHFBSWFOFAGHO-UHFFFAOYSA-N
Compound name
2-(dichloroamino)-2-methyl-N-(2-oxopropyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.01022 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01750 155.6
[M+Na]+ 298.99944 162.4
[M-H]- 275.00294 157.3
[M+NH4]+ 294.04404 173.4
[M+K]+ 314.97338 159.3
[M+H-H2O]+ 259.00748 152.4
[M+HCOO]- 321.00842 163.8
[M+CH3COO]- 335.02407 200.2
[M+Na-2H]- 296.98489 158.5
[M]+ 276.00967 161.9
[M]- 276.01077 161.9
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

No patent data available for this compound.