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]+ 355.22441 192.6
[M+Na]+ 377.20635 195.1
[M-H]- 353.20985 188.4
[M+NH4]+ 372.25095 192.3
[M+K]+ 393.18029 194.0
[M+H-H2O]+ 337.21439 183.5
[M+HCOO]- 399.21533 209.3
[M+CH3COO]- 413.23098 213.1
[M+Na-2H]- 375.19180 191.8
[M]+ 354.21658 205.0
[M]- 354.21768 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.