CID 49853465

Akos015898617

Structural Information

Molecular Formula
C7H10OS2
SMILES
CCCSSC1=CC=CO1
InChI
InChI=1S/C7H10OS2/c1-2-6-9-10-7-4-3-5-8-7/h3-5H,2,6H2,1H3
InChIKey
KFCGBHODXMJBFT-UHFFFAOYSA-N
Compound name
2-(propyldisulfanyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0173 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02458 132.9
[M+Na]+ 197.00652 142.2
[M-H]- 173.01002 137.6
[M+NH4]+ 192.05112 154.8
[M+K]+ 212.98046 140.4
[M+H-H2O]+ 157.01456 128.2
[M+HCOO]- 219.01550 147.6
[M+CH3COO]- 233.03115 176.4
[M+Na-2H]- 194.99197 134.7
[M]+ 174.01675 137.9
[M]- 174.01785 137.9
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.