CID 3055271

72197-84-3

Structural Information

Molecular Formula
C12H27O5PS
SMILES
CCCCC(C)OP(=S)(OCCOC)OCCOC
InChI
InChI=1S/C12H27O5PS/c1-5-6-7-12(2)17-18(19,15-10-8-13-3)16-11-9-14-4/h12H,5-11H2,1-4H3
InChIKey
UHLBGOLXQNJETN-UHFFFAOYSA-N
Compound name
hexan-2-yloxy-bis(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13168 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13896 175.3
[M+Na]+ 337.12090 179.2
[M-H]- 313.12440 173.4
[M+NH4]+ 332.16550 191.0
[M+K]+ 353.09484 178.9
[M+H-H2O]+ 297.12894 166.5
[M+HCOO]- 359.12988 196.2
[M+CH3COO]- 373.14553 206.1
[M+Na-2H]- 335.10635 173.0
[M]+ 314.13113 187.7
[M]- 314.13223 187.7
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.