CID 6913934

4-methoxybenzenesulfinate

Structural Information

Molecular Formula
C7H8O3S
SMILES
COC1=CC=C(C=C1)S(=O)O
InChI
InChI=1S/C7H8O3S/c1-10-6-2-4-7(5-3-6)11(8)9/h2-5H,1H3,(H,8,9)
InChIKey
YVZWQPOTHRMEQW-UHFFFAOYSA-N
Compound name
4-methoxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1982
Patents

172.01941 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.026686 131.0
[M+Na]+ 195.008628 139.6
[M-H]- 171.012134 134.0
[M+NH4]+ 190.053233 151.3
[M+K]+ 210.982568 137.6
[M+H-H2O]+ 155.016670 125.8
[M+HCOO]- 217.017611 149.2
[M+CH3COO]- 231.033261 173.7
[M+Na-2H]- 192.994076 134.6
[M]+ 172.01886142 133.8
[M]- 172.01995858 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe