CID 43810748

1-oxo-1,3-dihydro-2-benzofuran-4-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClO4S
SMILES
C1C2=C(C=CC=C2S(=O)(=O)Cl)C(=O)O1
InChI
InChI=1S/C8H5ClO4S/c9-14(11,12)7-3-1-2-5-6(7)4-13-8(5)10/h1-3H,4H2
InChIKey
YLCVXGOXXNXUDC-UHFFFAOYSA-N
Compound name
1-oxo-3H-2-benzofuran-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.9597 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96698 142.8
[M+Na]+ 254.94892 154.7
[M-H]- 230.95242 149.3
[M+NH4]+ 249.99352 164.1
[M+K]+ 270.92286 152.0
[M+H-H2O]+ 214.95696 140.0
[M+HCOO]- 276.95790 156.3
[M+CH3COO]- 290.97355 182.1
[M+Na-2H]- 252.93437 148.5
[M]+ 231.95915 149.4
[M]- 231.96025 149.4
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