CID 170670

42567-04-4

Structural Information

Molecular Formula
C18H27O5P
SMILES
CCC1(COC1)COP(OCC2(COC2)CC)OC3=CC=CC=C3
InChI
InChI=1S/C18H27O5P/c1-3-17(10-19-11-17)14-21-24(23-16-8-6-5-7-9-16)22-15-18(4-2)12-20-13-18/h5-9H,3-4,10-15H2,1-2H3
InChIKey
ZGDCYFMCNOPXJG-UHFFFAOYSA-N
Compound name
bis[(3-ethyloxetan-3-yl)methyl] phenyl phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

354.1596 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16688 173.5
[M+Na]+ 377.14882 174.0
[M-H]- 353.15232 181.1
[M+NH4]+ 372.19342 174.7
[M+K]+ 393.12276 181.4
[M+H-H2O]+ 337.15686 156.4
[M+HCOO]- 399.15780 193.1
[M+CH3COO]- 413.17345 220.6
[M+Na-2H]- 375.13427 175.4
[M]+ 354.15905 195.3
[M]- 354.16015 195.3
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