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]+ 245.03977 152.8
[M+Na]+ 267.02171 162.7
[M-H]- 243.02521 157.8
[M+NH4]+ 262.06631 174.9
[M+K]+ 282.99565 157.7
[M+H-H2O]+ 227.02975 149.1
[M+HCOO]- 289.03069 165.6
[M+CH3COO]- 303.04634 186.6
[M+Na-2H]- 265.00716 156.2
[M]+ 244.03194 157.4
[M]- 244.03304 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.