CID 139595947

[2-(1-methoxyethenyl)phenyl] 4-hydroxybenzenesulfonate

Structural Information

Molecular Formula
C15H14O5S
SMILES
COC(=C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O5S/c1-11(19-2)14-5-3-4-6-15(14)20-21(17,18)13-9-7-12(16)8-10-13/h3-10,16H,1H2,2H3
InChIKey
LPRROPCREDREJV-UHFFFAOYSA-N
Compound name
[2-(1-methoxyethenyl)phenyl] 4-hydroxybenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.05618 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.063456 166.4
[M+Na]+ 329.045398 174.2
[M-H]- 305.048904 172.2
[M+NH4]+ 324.090003 180.7
[M+K]+ 345.019338 170.4
[M+H-H2O]+ 289.053440 159.3
[M+HCOO]- 351.054381 182.8
[M+CH3COO]- 365.070031 197.8
[M+Na-2H]- 327.030846 169.3
[M]+ 306.05563142 170.8
[M]- 306.05672858 170.8
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.