CID 121553160

Rac-(1r,2s)-1-methoxy-2,3-dihydro-1h-indene-2-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
CO[C@@H]1[C@@H](CC2=CC=CC=C12)S(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO3S/c1-14-10-8-5-3-2-4-7(8)6-9(10)15(11,12)13/h2-5,9-10H,6H2,1H3/t9-,10+/m1/s1
InChIKey
GKKJYTPZEQJRGA-ZJUUUORDSA-N
Compound name
(1S,2R)-1-methoxy-2,3-dihydro-1H-indene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01175 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01903 150.7
[M+Na]+ 269.00097 161.6
[M-H]- 245.00447 156.1
[M+NH4]+ 264.04557 172.9
[M+K]+ 284.97491 157.4
[M+H-H2O]+ 229.00901 147.3
[M+HCOO]- 291.00995 163.9
[M+CH3COO]- 305.02560 186.8
[M+Na-2H]- 266.98642 154.3
[M]+ 246.01120 156.8
[M]- 246.01230 156.8
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.