CID 54594048

1-propanoyl-2,3-dihydro-1h-indole-6-sulfonyl chloride

Structural Information

Molecular Formula
C11H12ClNO3S
SMILES
CCC(=O)N1CCC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C11H12ClNO3S/c1-2-11(14)13-6-5-8-3-4-9(7-10(8)13)17(12,15)16/h3-4,7H,2,5-6H2,1H3
InChIKey
UITHMKQIOWXCBJ-UHFFFAOYSA-N
Compound name
1-propanoyl-2,3-dihydroindole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.02264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.029916 158.2
[M+Na]+ 296.011858 168.6
[M-H]- 272.015364 162.2
[M+NH4]+ 291.056463 177.9
[M+K]+ 311.985798 164.2
[M+H-H2O]+ 256.019900 153.9
[M+HCOO]- 318.020841 169.0
[M+CH3COO]- 332.036491 191.7
[M+Na-2H]- 293.997306 160.2
[M]+ 273.02209142 163.7
[M]- 273.02318858 163.7
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.