CID 112313

69847-46-7

Structural Information

Molecular Formula
C17H29O9P
SMILES
CC1=CC=C(C=C1)OCCOCCOCCOCCOCCOP(=O)(O)O
InChI
InChI=1S/C17H29O9P/c1-16-2-4-17(5-3-16)25-14-12-23-10-8-21-6-7-22-9-11-24-13-15-26-27(18,19)20/h2-5H,6-15H2,1H3,(H2,18,19,20)
InChIKey
CNCPGWWJGQPHCV-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1549 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16218 194.3
[M+Na]+ 431.14412 200.2
[M+NH4]+ 426.18872 196.0
[M+K]+ 447.11806 197.3
[M-H]- 407.14762 190.3
[M+Na-2H]- 429.12957 194.3
[M]+ 408.15435 193.3
[M]- 408.15545 193.3
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

No patent data available for this compound.