CID 77078

Ethanol, 2-(hexyloxy)-, hydrogen phosphate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
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

literature stripe

Patent stripe

patents stripe