CID 12261287

(e)-2-phenylethene-1-sulfinic acid

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)O
InChI
InChI=1S/C8H8O2S/c9-11(10)7-6-8-4-2-1-3-5-8/h1-7H,(H,9,10)/b7-6+
InChIKey
SBPHKWNOKKNYKP-VOTSOKGWSA-N
Compound name
(E)-2-phenylethenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0245 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 132.1
[M+Na]+ 191.013718 139.9
[M-H]- 167.017224 134.7
[M+NH4]+ 186.058323 152.3
[M+K]+ 206.987658 136.6
[M+H-H2O]+ 151.021760 126.8
[M+HCOO]- 213.022701 150.0
[M+CH3COO]- 227.038351 172.0
[M+Na-2H]- 188.999166 135.8
[M]+ 168.02395142 132.7
[M]- 168.02504858 132.7
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.