CID 19711366

2,3-dihydro-1h-isoindole-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H8ClNO2S
SMILES
C1C2=CC=CC=C2CN1S(=O)(=O)Cl
InChI
InChI=1S/C8H8ClNO2S/c9-13(11,12)10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKey
WQVMPINLJGNOLY-UHFFFAOYSA-N
Compound name
1,3-dihydroisoindole-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.99643 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.003706 143.0
[M+Na]+ 239.985648 154.1
[M-H]- 215.989154 147.0
[M+NH4]+ 235.030253 164.8
[M+K]+ 255.959588 149.9
[M+H-H2O]+ 199.993690 138.8
[M+HCOO]- 261.994631 155.4
[M+CH3COO]- 276.010281 180.2
[M+Na-2H]- 237.971096 147.8
[M]+ 216.99588142 146.9
[M]- 216.99697858 146.9
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

patents stripe