CID 536079

26322-82-7

Structural Information

Molecular Formula
C11H14O5S
SMILES
CC1(C(OC2=C1C=C(C=C2)OS(=O)(=O)C)O)C
InChI
InChI=1S/C11H14O5S/c1-11(2)8-6-7(16-17(3,13)14)4-5-9(8)15-10(11)12/h4-6,10,12H,1-3H3
InChIKey
KNHJTPLSWOEZHZ-UHFFFAOYSA-N
Compound name
(2-hydroxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

15
Patents

258.05618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06346 151.4
[M+Na]+ 281.04540 162.1
[M-H]- 257.04890 156.3
[M+NH4]+ 276.09000 172.4
[M+K]+ 297.01934 160.9
[M+H-H2O]+ 241.05344 148.4
[M+HCOO]- 303.05438 167.0
[M+CH3COO]- 317.07003 188.6
[M+Na-2H]- 279.03085 157.3
[M]+ 258.05563 158.4
[M]- 258.05673 158.4
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

No patent data available for this compound.