CID 83408

Vinyl hydrogen sulphate

Structural Information

Molecular Formula
C2H4O4S
SMILES
C=COS(=O)(=O)O
InChI
InChI=1S/C2H4O4S/c1-2-6-7(3,4)5/h2H,1H2,(H,3,4,5)
InChIKey
VEWLDLAARDMXSB-UHFFFAOYSA-N
Compound name
ethenyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

13550
Patents

123.98303 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.990306 118.2
[M+Na]+ 146.972248 127.5
[M-H]- 122.975754 118.0
[M+NH4]+ 142.016853 140.1
[M+K]+ 162.946188 126.4
[M+H-H2O]+ 106.980290 114.4
[M+HCOO]- 168.981231 136.2
[M+CH3COO]- 182.996881 161.9
[M+Na-2H]- 144.957696 124.0
[M]+ 123.98248142 121.2
[M]- 123.98357858 121.2
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