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

464
Patents

215.9648 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.972076 138.9
[M+Na]+ 238.954018 152.2
[M-H]- 214.957524 146.0
[M+NH4]+ 233.998623 161.1
[M+K]+ 254.927958 149.1
[M+H-H2O]+ 198.962060 135.8
[M+HCOO]- 260.963001 155.0
[M+CH3COO]- 274.978651 179.1
[M+Na-2H]- 236.939466 146.7
[M]+ 215.96425142 147.3
[M]- 215.96534858 147.3
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