CID 105219

65850-52-4

Structural Information

Molecular Formula
C18H28O6P2
SMILES
CC1(COP(=O)(OC1)CC2=CC=C(C=C2)CP3(=O)OCC(CO3)(C)C)C
InChI
InChI=1S/C18H28O6P2/c1-17(2)11-21-25(19,22-12-17)9-15-5-7-16(8-6-15)10-26(20)23-13-18(3,4)14-24-26/h5-8H,9-14H2,1-4H3
InChIKey
HEJAJPLMZFPDTC-UHFFFAOYSA-N
Compound name
2-[[4-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]phenyl]methyl]-5,5-dimethyl-1,3,2lambda5-dioxaphosphinane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

402.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14338 192.1
[M+Na]+ 425.12532 198.2
[M-H]- 401.12882 201.3
[M+NH4]+ 420.16992 205.9
[M+K]+ 441.09926 202.5
[M+H-H2O]+ 385.13336 180.5
[M+HCOO]- 447.13430 215.0
[M+CH3COO]- 461.14995 221.0
[M+Na-2H]- 423.11077 194.2
[M]+ 402.13555 195.8
[M]- 402.13665 195.8
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