CID 113573

2-(2(or4)-isododecylphenoxy)ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C20H35O5P
SMILES
CC(C)CCCCCCCCCC1=CC=C(C=C1)OCCOP(=O)(O)O
InChI
InChI=1S/C20H35O5P/c1-18(2)10-8-6-4-3-5-7-9-11-19-12-14-20(15-13-19)24-16-17-25-26(21,22)23/h12-15,18H,3-11,16-17H2,1-2H3,(H2,21,22,23)
InChIKey
NUSRVLPSWNCQMA-UHFFFAOYSA-N
Compound name
2-[4-(10-methylundecyl)phenoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2222 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.22948 201.9
[M+Na]+ 409.21142 203.9
[M-H]- 385.21492 199.8
[M+NH4]+ 404.25602 212.6
[M+K]+ 425.18536 200.8
[M+H-H2O]+ 369.21946 192.0
[M+HCOO]- 431.22040 223.4
[M+CH3COO]- 445.23605 217.9
[M+Na-2H]- 407.19687 198.6
[M]+ 386.22165 209.0
[M]- 386.22275 209.0
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.