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

34
Patents

247.00699 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 147.7
[M+Na]+ 269.99621 156.7
[M-H]- 245.99971 153.6
[M+NH4]+ 265.04081 166.9
[M+K]+ 285.97015 153.9
[M+H-H2O]+ 230.00425 142.9
[M+HCOO]- 292.00519 162.6
[M+CH3COO]- 306.02084 192.4
[M+Na-2H]- 267.98166 151.1
[M]+ 247.00644 153.7
[M]- 247.00754 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