CID 1549265

Sodium 2-phenylethylene-1-sulphonate

Structural Information

Molecular Formula
C8H8O3S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)O
InChI
InChI=1S/C8H8O3S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H,(H,9,10,11)/b7-6+
InChIKey
AGBXYHCHUYARJY-VOTSOKGWSA-N
Compound name
(E)-2-phenylethenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

184.01941 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.026686 135.6
[M+Na]+ 207.008628 144.3
[M-H]- 183.012134 138.4
[M+NH4]+ 202.053233 155.3
[M+K]+ 222.982568 140.7
[M+H-H2O]+ 167.016670 130.6
[M+HCOO]- 229.017611 153.5
[M+CH3COO]- 243.033261 172.7
[M+Na-2H]- 204.994076 141.2
[M]+ 184.01886142 137.1
[M]- 184.01995858 137.1
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