CID 3055282

Brn 1988976

Structural Information

Molecular Formula
C17H37O5PS
SMILES
CCCCCCCC(C)OP(=S)(OCCOCC)OCCOCC
InChI
InChI=1S/C17H37O5PS/c1-5-8-9-10-11-12-17(4)22-23(24,20-15-13-18-6-2)21-16-14-19-7-3/h17H,5-16H2,1-4H3
InChIKey
BUJLAYPOKCMPCL-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethoxy)-nonan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.20993 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21721 197.9
[M+Na]+ 407.19915 199.7
[M-H]- 383.20265 195.1
[M+NH4]+ 402.24375 207.7
[M+K]+ 423.17309 198.2
[M+H-H2O]+ 367.20719 188.2
[M+HCOO]- 429.20813 220.0
[M+CH3COO]- 443.22378 220.8
[M+Na-2H]- 405.18460 193.3
[M]+ 384.20938 212.1
[M]- 384.21048 212.1
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.