CID 16205318

2-sulfinoacetaldehyde

Structural Information

Molecular Formula
C2H4O3S
SMILES
C(C=O)S(=O)O
InChI
InChI=1S/C2H4O3S/c3-1-2-6(4)5/h1H,2H2,(H,4,5)
InChIKey
GPIFJZBDHMKDSK-UHFFFAOYSA-N
Compound name
2-oxoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

26
Patents

107.98811 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.99539 115.3
[M+Na]+ 130.97733 123.8
[M-H]- 106.98083 115.0
[M+NH4]+ 126.02193 137.9
[M+K]+ 146.95127 123.2
[M+H-H2O]+ 90.985370 111.2
[M+HCOO]- 152.98631 133.4
[M+CH3COO]- 167.00196 161.3
[M+Na-2H]- 128.96278 119.1
[M]+ 107.98756 117.5
[M]- 107.98866 117.5
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