CID 6424802

959301-32-7

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CC1(C2=C(C=CC(=C2)S(=O)(=O)Cl)N(C1=O)C)C
InChI
InChI=1S/C11H12ClNO3S/c1-11(2)8-6-7(17(12,15)16)4-5-9(8)13(3)10(11)14/h4-6H,1-3H3
InChIKey
RTVDERAQXGLHFG-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-2-oxoindole-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.02264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.029916 154.9
[M+Na]+ 296.011858 167.9
[M-H]- 272.015364 159.6
[M+NH4]+ 291.056463 177.0
[M+K]+ 311.985798 163.3
[M+H-H2O]+ 256.019900 151.8
[M+HCOO]- 318.020841 166.5
[M+CH3COO]- 332.036491 193.5
[M+Na-2H]- 293.997306 158.4
[M]+ 273.02209142 162.1
[M]- 273.02318858 162.1
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.