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]+ 274.02992 154.9
[M+Na]+ 296.01186 167.9
[M-H]- 272.01536 159.6
[M+NH4]+ 291.05646 177.0
[M+K]+ 311.98580 163.3
[M+H-H2O]+ 256.01990 151.8
[M+HCOO]- 318.02084 166.5
[M+CH3COO]- 332.03649 193.5
[M+Na-2H]- 293.99731 158.4
[M]+ 273.02209 162.1
[M]- 273.02319 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.