CID 88657773

2-propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfide

Structural Information

Molecular Formula
C9H14O2S3
SMILES
C=CCSS/C=C\CS(=O)(=O)CC=C
InChI
InChI=1S/C9H14O2S3/c1-3-6-12-13-7-5-9-14(10,11)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
InChIKey
OBJCYMGLWKMJIK-ALCCZGGFSA-N
Compound name
(Z)-1-(prop-2-enyldisulfanyl)-3-prop-2-enylsulfonylprop-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

250.0156 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02288 154.8
[M+Na]+ 273.00482 161.5
[M-H]- 249.00832 153.6
[M+NH4]+ 268.04942 171.8
[M+K]+ 288.97876 153.6
[M+H-H2O]+ 233.01286 148.9
[M+HCOO]- 295.01380 159.8
[M+CH3COO]- 309.02945 189.8
[M+Na-2H]- 270.99027 153.4
[M]+ 250.01505 157.3
[M]- 250.01615 157.3
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

patents stripe