CID 65368231

5-carbamoyl-2,3-dimethylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClNO3S
SMILES
CC1=CC(=CC(=C1C)S(=O)(=O)Cl)C(=O)N
InChI
InChI=1S/C9H10ClNO3S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H2,11,12)
InChIKey
FNZOHNQRJVUDKZ-UHFFFAOYSA-N
Compound name
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.00699 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.01427 151.9
[M+Na]+ 269.99621 163.4
[M+NH4]+ 265.04081 159.0
[M+K]+ 285.97015 156.9
[M-H]- 245.99971 152.5
[M+Na-2H]- 267.98166 156.1
[M]+ 247.00644 154.3
[M]- 247.00754 154.3
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

No patent data available for this compound.