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]+ 248.014266 147.6
[M+Na]+ 269.996208 158.0
[M-H]- 245.999714 152.0
[M+NH4]+ 265.040813 166.2
[M+K]+ 285.970148 153.4
[M+H-H2O]+ 230.004250 143.4
[M+HCOO]- 292.005191 161.2
[M+CH3COO]- 306.020841 191.5
[M+Na-2H]- 267.981656 149.3
[M]+ 247.00644142 152.0
[M]- 247.00753858 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.