CID 86812181

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

Structural Information

Molecular Formula
C11H13ClO2S
SMILES
C1C(CC2=CC=CC=C21)CCS(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO2S/c12-15(13,14)6-5-9-7-10-3-1-2-4-11(10)8-9/h1-4,9H,5-8H2
InChIKey
QZUYZUXKFXWPMS-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-2-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03249 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03977 151.8
[M+Na]+ 267.02171 163.7
[M+NH4]+ 262.06631 161.2
[M+K]+ 282.99565 156.3
[M-H]- 243.02521 153.3
[M+Na-2H]- 265.00716 156.5
[M]+ 244.03194 154.7
[M]- 244.03304 154.7
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.