CID 3409403

379723-72-5

Structural Information

Molecular Formula
C12H14Cl2N2O4S
SMILES
C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CCl
InChI
InChI=1S/C12H14Cl2N2O4S/c13-8-12(17)15-11-7-9(1-2-10(11)14)21(18,19)16-3-5-20-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKey
IPBSJPNBBDIMHY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.00513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01241 172.2
[M+Na]+ 374.99435 179.0
[M-H]- 350.99785 177.5
[M+NH4]+ 370.03895 183.9
[M+K]+ 390.96829 175.0
[M+H-H2O]+ 335.00239 166.3
[M+HCOO]- 397.00333 176.1
[M+CH3COO]- 411.01898 205.5
[M+Na-2H]- 372.97980 174.5
[M]+ 352.00458 175.2
[M]- 352.00568 175.2
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.