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

54
Patents

200.01433 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.021606 137.0
[M+Na]+ 223.003548 146.8
[M-H]- 199.007054 141.6
[M+NH4]+ 218.048153 157.9
[M+K]+ 238.977488 145.4
[M+H-H2O]+ 183.011590 133.3
[M+HCOO]- 245.012531 153.5
[M+CH3COO]- 259.028181 175.4
[M+Na-2H]- 220.988996 143.4
[M]+ 200.01378142 140.3
[M]- 200.01487858 140.3
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