CID 10956159

4-sulfamoylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO4S2
SMILES
C1=CC(=CC=C1S(=O)(=O)N)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO4S2/c7-13(9,10)5-1-3-6(4-2-5)14(8,11)12/h1-4H,(H2,8,11,12)
InChIKey
LLFQHNCOIPUFIJ-UHFFFAOYSA-N
Compound name
4-sulfamoylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

254.94267 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.94995 148.4
[M+Na]+ 277.93189 158.3
[M-H]- 253.93539 152.1
[M+NH4]+ 272.97649 165.9
[M+K]+ 293.90583 152.6
[M+H-H2O]+ 237.93993 144.1
[M+HCOO]- 299.94087 157.1
[M+CH3COO]- 313.95652 185.8
[M+Na-2H]- 275.91734 152.9
[M]+ 254.94212 152.0
[M]- 254.94322 152.0
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