CID 4211313

4-(diethylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H14ClNO4S2
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChI
InChI=1S/C10H14ClNO4S2/c1-3-12(4-2)18(15,16)10-7-5-9(6-8-10)17(11,13)14/h5-8H,3-4H2,1-2H3
InChIKey
RTTMYWGQXRVHBR-UHFFFAOYSA-N
Compound name
4-(diethylsulfamoyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.00528 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01256 169.5
[M+Na]+ 333.99450 179.1
[M+NH4]+ 329.03910 175.9
[M+K]+ 349.96844 171.2
[M-H]- 309.99800 169.3
[M+Na-2H]- 331.97995 173.3
[M]+ 311.00473 171.9
[M]- 311.00583 171.9
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

patents stripe