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 147.6
[M+Na]+ 269.99621 158.0
[M-H]- 245.99971 152.0
[M+NH4]+ 265.04081 166.2
[M+K]+ 285.97015 153.4
[M+H-H2O]+ 230.00425 143.4
[M+HCOO]- 292.00519 161.2
[M+CH3COO]- 306.02084 191.5
[M+Na-2H]- 267.98166 149.3
[M]+ 247.00644 152.0
[M]- 247.00754 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

No patent data available for this compound.