CID 16792033

2-chloro-5-(diethylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H13Cl2NO4S2
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C10H13Cl2NO4S2/c1-3-13(4-2)19(16,17)8-5-6-9(11)10(7-8)18(12,14)15/h5-7H,3-4H2,1-2H3
InChIKey
SKKHYTKNCZQJJY-UHFFFAOYSA-N
Compound name
2-chloro-5-(diethylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.9663 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.97358 178.5
[M+Na]+ 367.95552 188.8
[M+NH4]+ 363.00012 184.8
[M+K]+ 383.92946 180.2
[M-H]- 343.95902 178.2
[M+Na-2H]- 365.94097 181.7
[M]+ 344.96575 181.2
[M]- 344.96685 181.2
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.