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]+ 247.019026 146.8
[M+Na]+ 269.000968 155.8
[M-H]- 245.004474 152.1
[M+NH4]+ 264.045573 165.5
[M+K]+ 284.974908 152.8
[M+H-H2O]+ 229.009010 142.6
[M+HCOO]- 291.009951 157.2
[M+CH3COO]- 305.025601 186.1
[M+Na-2H]- 266.986416 153.6
[M]+ 246.01120142 150.8
[M]- 246.01229858 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.