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 194.1
[M+Na]+ 431.14412 196.6
[M-H]- 407.14762 192.3
[M+NH4]+ 426.18872 203.4
[M+K]+ 447.11806 196.6
[M+H-H2O]+ 391.15216 183.4
[M+HCOO]- 453.15310 218.3
[M+CH3COO]- 467.16875 216.7
[M+Na-2H]- 429.12957 195.1
[M]+ 408.15435 206.4
[M]- 408.15545 206.4
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.