CID 103467

65036-62-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.02489 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03217 142.2
[M+Na]+ 241.01411 150.1
[M-H]- 217.01761 143.6
[M+NH4]+ 236.05871 159.6
[M+K]+ 256.98805 147.8
[M+H-H2O]+ 201.02215 137.0
[M+HCOO]- 263.02309 157.6
[M+CH3COO]- 277.03874 178.1
[M+Na-2H]- 238.99956 146.0
[M]+ 218.02434 145.1
[M]- 218.02544 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