CID 65431205

2-(2,3-dihydro-1-benzofuran-5-yl)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H11ClO3S
SMILES
C1COC2=C1C=C(C=C2)CCS(=O)(=O)Cl
InChI
InChI=1S/C10H11ClO3S/c11-15(12,13)6-4-8-1-2-10-9(7-8)3-5-14-10/h1-2,7H,3-6H2
InChIKey
QSMPCCSLJVXVBY-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1-benzofuran-5-yl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.01175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01903 150.4
[M+Na]+ 269.00097 160.6
[M-H]- 245.00447 156.2
[M+NH4]+ 264.04557 171.1
[M+K]+ 284.97491 157.4
[M+H-H2O]+ 229.00901 146.9
[M+HCOO]- 291.00995 162.9
[M+CH3COO]- 305.02560 185.6
[M+Na-2H]- 266.98642 155.4
[M]+ 246.01120 156.6
[M]- 246.01230 156.6
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.