CID 2776154

2,3-dihydrobenzofuran-5-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClO3S
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2
InChIKey
RVWYPBARHGPULM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

545
Patents

217.98044 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.987716 141.0
[M+Na]+ 240.969658 152.1
[M-H]- 216.973164 147.2
[M+NH4]+ 236.014263 162.9
[M+K]+ 256.943598 149.5
[M+H-H2O]+ 200.977700 138.0
[M+HCOO]- 262.978641 154.2
[M+CH3COO]- 276.994291 179.7
[M+Na-2H]- 238.955106 147.0
[M]+ 217.97989142 146.5
[M]- 217.98098858 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe