CID 205852

Brn 1223738

Structural Information

Molecular Formula
C17H32NO4PS
SMILES
CCCCCCCCCCC1=CC(=NO1)OP(=S)(OCC)OCC
InChI
InChI=1S/C17H32NO4PS/c1-4-7-8-9-10-11-12-13-14-16-15-17(18-21-16)22-23(24,19-5-2)20-6-3/h15H,4-14H2,1-3H3
InChIKey
JXPOBQRUIICVHA-UHFFFAOYSA-N
Compound name
(5-decyl-1,2-oxazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.17896 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18624 194.2
[M+Na]+ 400.16818 198.7
[M-H]- 376.17168 194.8
[M+NH4]+ 395.21278 206.7
[M+K]+ 416.14212 197.0
[M+H-H2O]+ 360.17622 184.1
[M+HCOO]- 422.17716 214.6
[M+CH3COO]- 436.19281 217.3
[M+Na-2H]- 398.15363 190.7
[M]+ 377.17841 206.6
[M]- 377.17951 206.6
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

No patent data available for this compound.