CID 4736794

4-(n,n-dimethylsulfamoyl)benzoyl chloride

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)Cl
InChI
InChI=1S/C9H10ClNO3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKey
DSQVYIHTCRCCPC-UHFFFAOYSA-N
Compound name
4-(dimethylsulfamoyl)benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

247.00699 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 147.5
[M+Na]+ 269.996208 156.4
[M-H]- 245.999714 153.3
[M+NH4]+ 265.040813 166.6
[M+K]+ 285.970148 153.6
[M+H-H2O]+ 230.004250 142.6
[M+HCOO]- 292.005191 162.4
[M+CH3COO]- 306.020841 193.1
[M+Na-2H]- 267.981656 151.0
[M]+ 247.00644142 153.5
[M]- 247.00753858 153.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe