CID 105505334

2-(2,3-dihydro-1h-inden-1-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
C1CC2=CC=CC=C2C1CCS(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO2S/c12-15(13,14)8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2
InChIKey
TUSCXYXESZIDGK-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-1-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03249 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.039766 152.8
[M+Na]+ 267.021708 162.7
[M-H]- 243.025214 157.8
[M+NH4]+ 262.066313 174.9
[M+K]+ 282.995648 157.7
[M+H-H2O]+ 227.029750 149.1
[M+HCOO]- 289.030691 165.6
[M+CH3COO]- 303.046341 186.6
[M+Na-2H]- 265.007156 156.2
[M]+ 244.03194142 157.4
[M]- 244.03303858 157.4
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.