CID 22833362

Iymcdjqwqxvrjh-uhfffaoysa-n

Structural Information

Molecular Formula
C16H35O2PS2
SMILES
CC(C)CC(C)CCOP(=S)(OCCC(C)CC(C)C)S
InChI
InChI=1S/C16H35O2PS2/c1-13(2)11-15(5)7-9-17-19(20,21)18-10-8-16(6)12-14(3)4/h13-16H,7-12H2,1-6H3,(H,20,21)
InChIKey
IYMCDJQWQXVRJH-UHFFFAOYSA-N
Compound name
bis(3,5-dimethylhexoxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1816 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.188876 184.8
[M+Na]+ 377.170818 186.2
[M-H]- 353.174324 182.2
[M+NH4]+ 372.215423 198.9
[M+K]+ 393.144758 183.3
[M+H-H2O]+ 337.178860 175.6
[M+HCOO]- 399.179801 194.9
[M+CH3COO]- 413.195451 218.5
[M+Na-2H]- 375.156266 175.6
[M]+ 354.18105142 192.8
[M]- 354.18214858 192.8
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.