CID 175686209

2-(2-butoxyethoxy)ethyl octyl hydrogen phosphate

Structural Information

Molecular Formula
C16H35O6P
SMILES
CCCCCCCCOP(=O)(O)OCCOCCOCCCC
InChI
InChI=1S/C16H35O6P/c1-3-5-7-8-9-10-12-21-23(17,18)22-16-15-20-14-13-19-11-6-4-2/h3-16H2,1-2H3,(H,17,18)
InChIKey
XPJTZCDKYNQGBS-UHFFFAOYSA-N
Compound name
2-(2-butoxyethoxy)ethyl octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.21713 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.224406 192.6
[M+Na]+ 377.206348 195.1
[M-H]- 353.209854 188.4
[M+NH4]+ 372.250953 192.3
[M+K]+ 393.180288 194.0
[M+H-H2O]+ 337.214390 183.5
[M+HCOO]- 399.215331 209.3
[M+CH3COO]- 413.230981 213.1
[M+Na-2H]- 375.191796 191.8
[M]+ 354.21658142 205.0
[M]- 354.21767858 205.0
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.