CID 95200

(methanesulfinylsulfanyl)methane

Structural Information

Molecular Formula
C2H6OS2
SMILES
CSS(=O)C
InChI
InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3
InChIKey
RRGUMJYEQDVBFP-UHFFFAOYSA-N
Compound name
methylsulfinylsulfanylmethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

14
References

305
Patents

109.98601 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.99329 115.0
[M+Na]+ 132.97523 123.7
[M-H]- 108.97873 116.0
[M+NH4]+ 128.01983 138.4
[M+K]+ 148.94917 122.1
[M+H-H2O]+ 92.983270 110.7
[M+HCOO]- 154.98421 127.8
[M+CH3COO]- 168.99986 166.4
[M+Na-2H]- 130.96068 116.6
[M]+ 109.98546 117.6
[M]- 109.98656 117.6
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