CID 13710589

Ethylsulfenate

Structural Information

Molecular Formula
C2H6OS
SMILES
CCSO
InChI
InChI=1S/C2H6OS/c1-2-4-3/h3H,2H2,1H3
InChIKey
HRKZEUPYFXLVQW-UHFFFAOYSA-N
Compound name
hydroxysulfanylethane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1292
Patents

78.01394 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 79.021216 110.2
[M+Na]+ 101.00316 118.7
[M-H]- 77.006664 110.0
[M+NH4]+ 96.047763 134.4
[M+K]+ 116.97710 118.1
[M+H-H2O]+ 61.011200 106.5
[M+HCOO]- 123.01214 128.5
[M+CH3COO]- 137.02779 158.4
[M+Na-2H]- 98.988606 115.2
[M]+ 78.013391 111.6
[M]- 78.014489 111.6
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