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]+ 274.02992 158.2
[M+Na]+ 296.01186 168.6
[M-H]- 272.01536 162.2
[M+NH4]+ 291.05646 177.9
[M+K]+ 311.98580 164.2
[M+H-H2O]+ 256.01990 153.9
[M+HCOO]- 318.02084 169.0
[M+CH3COO]- 332.03649 191.7
[M+Na-2H]- 293.99731 160.2
[M]+ 273.02209 163.7
[M]- 273.02319 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.