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]+ 247.019026 150.4
[M+Na]+ 269.000968 160.6
[M-H]- 245.004474 156.2
[M+NH4]+ 264.045573 171.1
[M+K]+ 284.974908 157.4
[M+H-H2O]+ 229.009010 146.9
[M+HCOO]- 291.009951 162.9
[M+CH3COO]- 305.025601 185.6
[M+Na-2H]- 266.986416 155.4
[M]+ 246.01120142 156.6
[M]- 246.01229858 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.