CID 526624

Bis(2-methyl-3-furyl)disulfide

Structural Information

Molecular Formula
C10H10O2S2
SMILES
CC1=C(C=CO1)SSC2=C(OC=C2)C
InChI
InChI=1S/C10H10O2S2/c1-7-9(3-5-11-7)13-14-10-4-6-12-8(10)2/h3-6H,1-2H3
InChIKey
OHDFENKFSKIFBJ-UHFFFAOYSA-N
Compound name
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

1113
Patents

226.01222 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.019496 145.4
[M+Na]+ 249.001438 158.3
[M-H]- 225.004944 155.5
[M+NH4]+ 244.046043 166.6
[M+K]+ 264.975378 157.0
[M+H-H2O]+ 209.009480 142.1
[M+HCOO]- 271.010421 163.0
[M+CH3COO]- 285.026071 161.0
[M+Na-2H]- 246.986886 146.3
[M]+ 226.01167142 154.3
[M]- 226.01276858 154.3
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