CID 11128639

4-(dimethylcarbamoyl)benzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

247.00699 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.014266 147.7
[M+Na]+ 269.996208 156.7
[M-H]- 245.999714 153.6
[M+NH4]+ 265.040813 166.9
[M+K]+ 285.970148 153.9
[M+H-H2O]+ 230.004250 142.9
[M+HCOO]- 292.005191 162.6
[M+CH3COO]- 306.020841 192.4
[M+Na-2H]- 267.981656 151.1
[M]+ 247.00644142 153.7
[M]- 247.00753858 153.7
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