CID 22247841

Sodium (4-methoxyphenyl)methanesulfinate

Structural Information

Molecular Formula
C8H10O3S
SMILES
COC1=CC=C(C=C1)CS(=O)O
InChI
InChI=1S/C8H10O3S/c1-11-8-4-2-7(3-5-8)6-12(9)10/h2-5H,6H2,1H3,(H,9,10)
InChIKey
FHNQTMMJWMHMOB-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.03506 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04234 135.5
[M+Na]+ 209.02428 143.7
[M-H]- 185.02778 138.3
[M+NH4]+ 204.06888 155.2
[M+K]+ 224.99822 141.5
[M+H-H2O]+ 169.03232 130.1
[M+HCOO]- 231.03326 153.4
[M+CH3COO]- 245.04891 176.7
[M+Na-2H]- 207.00973 138.7
[M]+ 186.03451 138.7
[M]- 186.03561 138.7
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.