CID 52851

11,17-dithiaheptacosane

Structural Information

Molecular Formula
C25H52S2
SMILES
CCCCCCCCCCSCCCCCSCCCCCCCCCC
InChI
InChI=1S/C25H52S2/c1-3-5-7-9-11-13-15-18-22-26-24-20-17-21-25-27-23-19-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKey
USHHVGUVPUFDKA-UHFFFAOYSA-N
Compound name
1-(5-decylsulfanylpentylsulfanyl)decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.35104 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.35832 205.6
[M+Na]+ 439.34026 204.8
[M-H]- 415.34376 202.0
[M+NH4]+ 434.38486 217.1
[M+K]+ 455.31420 197.2
[M+H-H2O]+ 399.34830 197.0
[M+HCOO]- 461.34924 212.1
[M+CH3COO]- 475.36489 231.5
[M+Na-2H]- 437.32571 198.0
[M]+ 416.35049 216.4
[M]- 416.35159 216.4
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