CID 20094511

118795-69-0

Structural Information

Molecular Formula
C8H8O4S
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C8H8O4S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,9,10,11)
InChIKey
XIPMCVYBNUWJTH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

200.01433 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02161 138.3
[M+Na]+ 223.00355 148.9
[M+NH4]+ 218.04815 146.4
[M+K]+ 238.97749 144.9
[M-H]- 199.00705 139.6
[M+Na-2H]- 220.98900 141.8
[M]+ 200.01378 140.5
[M]- 200.01488 140.5
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