CID 83194

2-methoxybenzenesulfinic acid

Structural Information

Molecular Formula
C7H8O3S
SMILES
COC1=CC=CC=C1S(=O)O
InChI
InChI=1S/C7H8O3S/c1-10-6-4-2-3-5-7(6)11(8)9/h2-5H,1H3,(H,8,9)
InChIKey
FLEOBKHAPXSNGY-UHFFFAOYSA-N
Compound name
2-methoxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

172.01941 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.02669 132.1
[M+Na]+ 195.00863 144.0
[M+NH4]+ 190.05323 140.5
[M+K]+ 210.98257 137.1
[M-H]- 171.01213 133.4
[M+Na-2H]- 192.99408 137.8
[M]+ 172.01886 134.5
[M]- 172.01996 134.5
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

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