CID 13751303

Schembl9458872

Structural Information

Molecular Formula
C8H19O2PS2
SMILES
CC(C)(C)OP(=S)(OC(C)(C)C)S
InChI
InChI=1S/C8H19O2PS2/c1-7(2,3)9-11(12,13)10-8(4,5)6/h1-6H3,(H,12,13)
InChIKey
CIIQHVMSLZSZNY-UHFFFAOYSA-N
Compound name
bis[(2-methylpropan-2-yl)oxy]-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.05641 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.063686 153.6
[M+Na]+ 265.045628 160.2
[M-H]- 241.049134 152.8
[M+NH4]+ 260.090233 172.6
[M+K]+ 281.019568 158.3
[M+H-H2O]+ 225.053670 146.3
[M+HCOO]- 287.054611 167.6
[M+CH3COO]- 301.070261 191.8
[M+Na-2H]- 263.031076 153.7
[M]+ 242.05586142 159.6
[M]- 242.05695858 159.6
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