CID 13444370

32157-30-5

Structural Information

Molecular Formula
C2H4OS
SMILES
CC=S=O
InChI
InChI=1S/C2H4OS/c1-2-4-3/h2H,1H3
InChIKey
KUGFGBASDDWLNF-UHFFFAOYSA-N
Compound name
1-sulfinylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

75.99828 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.005556 107.6
[M+Na]+ 98.987498 117.2
[M-H]- 74.991004 109.0
[M+NH4]+ 94.032103 132.6
[M+K]+ 114.961438 116.4
[M+H-H2O]+ 58.995540 103.9
[M+HCOO]- 120.996481 127.8
[M+CH3COO]- 135.012131 158.6
[M+Na-2H]- 96.972946 113.1
[M]+ 75.99773142 109.4
[M]- 75.99882858 109.4
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.