CID 49762852

1-benzofuran-7-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClO3S
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)OC=C2
InChI
InChI=1S/C8H5ClO3S/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKey
MEOOVUNNRYYGCV-UHFFFAOYSA-N
Compound name
1-benzofuran-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

215.9648 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97208 138.9
[M+Na]+ 238.95402 152.2
[M-H]- 214.95752 146.0
[M+NH4]+ 233.99862 161.1
[M+K]+ 254.92796 149.1
[M+H-H2O]+ 198.96206 135.8
[M+HCOO]- 260.96300 155.0
[M+CH3COO]- 274.97865 179.1
[M+Na-2H]- 236.93947 146.7
[M]+ 215.96425 147.3
[M]- 215.96535 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