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]+ 169.03178 132.1
[M+Na]+ 191.01372 139.9
[M-H]- 167.01722 134.7
[M+NH4]+ 186.05832 152.3
[M+K]+ 206.98766 136.6
[M+H-H2O]+ 151.02176 126.8
[M+HCOO]- 213.02270 150.0
[M+CH3COO]- 227.03835 172.0
[M+Na-2H]- 188.99917 135.8
[M]+ 168.02395 132.7
[M]- 168.02505 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.