CID 13472254

98475-11-7

Structural Information

Molecular Formula
C8H7ClO3S
SMILES
C1C2=C(CO1)C(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)8-3-1-2-6-4-12-5-7(6)8/h1-3H,4-5H2
InChIKey
NCOCTXURUISBSU-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.98044 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98772 141.0
[M+Na]+ 240.96966 152.1
[M-H]- 216.97316 147.2
[M+NH4]+ 236.01426 162.9
[M+K]+ 256.94360 149.5
[M+H-H2O]+ 200.97770 138.0
[M+HCOO]- 262.97864 154.2
[M+CH3COO]- 276.99429 179.7
[M+Na-2H]- 238.95511 147.0
[M]+ 217.97989 146.5
[M]- 217.98099 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

No literature data available for this compound.

Patent stripe

patents stripe