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

12
Patents

216.99643 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.00371 143.0
[M+Na]+ 239.98565 154.1
[M-H]- 215.98915 147.0
[M+NH4]+ 235.03025 164.8
[M+K]+ 255.95959 149.9
[M+H-H2O]+ 199.99369 138.8
[M+HCOO]- 261.99463 155.4
[M+CH3COO]- 276.01028 180.2
[M+Na-2H]- 237.97110 147.8
[M]+ 216.99588 146.9
[M]- 216.99698 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