CID 44665692

(z)-2-(2-hydroxyphenyl)ethenesulfinate

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1=CC=C(C(=C1)/C=C\S(=O)O)O
InChI
InChI=1S/C8H8O3S/c9-8-4-2-1-3-7(8)5-6-12(10)11/h1-6,9H,(H,10,11)/b6-5-
InChIKey
IJVNQCIZZWCNEY-WAYWQWQTSA-N
Compound name
(Z)-2-(2-hydroxyphenyl)ethenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

184.01941 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 135.2
[M+Na]+ 207.00863 143.3
[M-H]- 183.01213 136.7
[M+NH4]+ 202.05323 154.3
[M+K]+ 222.98257 139.5
[M+H-H2O]+ 167.01667 130.1
[M+HCOO]- 229.01761 151.8
[M+CH3COO]- 243.03326 172.7
[M+Na-2H]- 204.99408 137.9
[M]+ 184.01886 135.8
[M]- 184.01996 135.8
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.