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 168.3
[M+Na]+ 367.95552 177.3
[M-H]- 343.95902 173.5
[M+NH4]+ 363.00012 184.0
[M+K]+ 383.92946 171.7
[M+H-H2O]+ 327.96356 164.3
[M+HCOO]- 389.96450 172.0
[M+CH3COO]- 403.98015 206.8
[M+Na-2H]- 365.94097 170.6
[M]+ 344.96575 176.8
[M]- 344.96685 176.8
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

No patent data available for this compound.