CID 84705882

1784843-92-0

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
C1COCC2=C1C=C(C=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO3S/c11-15(12,13)7-8-1-2-10-6-14-4-3-9(10)5-8/h1-2,5H,3-4,6-7H2
InChIKey
LCWIFORZNSRHFL-UHFFFAOYSA-N
Compound name
3,4-dihydro-1H-isochromen-6-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01175 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01903 146.8
[M+Na]+ 269.00097 155.8
[M-H]- 245.00447 152.1
[M+NH4]+ 264.04557 165.5
[M+K]+ 284.97491 152.8
[M+H-H2O]+ 229.00901 142.6
[M+HCOO]- 291.00995 157.2
[M+CH3COO]- 305.02560 186.1
[M+Na-2H]- 266.98642 153.6
[M]+ 246.01120 150.8
[M]- 246.01230 150.8
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.