CID 101542

81-12-9

Structural Information

Molecular Formula
C8H10O5S
SMILES
COC1=CC=C(C=C1)C(O)S(=O)(=O)O
InChI
InChI=1S/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)
InChIKey
NDMUEXKPRHMWRH-UHFFFAOYSA-N
Compound name
hydroxy-(4-methoxyphenyl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

66
Patents

218.02489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.032166 142.2
[M+Na]+ 241.014108 150.1
[M-H]- 217.017614 143.6
[M+NH4]+ 236.058713 159.6
[M+K]+ 256.988048 147.8
[M+H-H2O]+ 201.022150 137.0
[M+HCOO]- 263.023091 157.6
[M+CH3COO]- 277.038741 178.1
[M+Na-2H]- 238.999556 146.0
[M]+ 218.02434142 145.1
[M]- 218.02543858 145.1
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