CID 2795172

1-benzofuran-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClO3S
SMILES
C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChIKey
RWCKBBSBRTUUHR-UHFFFAOYSA-N
Compound name
1-benzofuran-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

215.9648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97208 140.1
[M+Na]+ 238.95402 154.4
[M+NH4]+ 233.99862 149.4
[M+K]+ 254.92796 148.0
[M-H]- 214.95752 142.9
[M+Na-2H]- 236.93947 146.2
[M]+ 215.96425 143.8
[M]- 215.96535 143.8
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

patents stripe