CID 112723

Phosphoric acid, monodecyl monooctyl ester

Structural Information

Molecular Formula
C18H39O4P
SMILES
CCCCCCCCCCOP(=O)(O)OCCCCCCCC
InChI
InChI=1S/C18H39O4P/c1-3-5-7-9-11-12-14-16-18-22-23(19,20)21-17-15-13-10-8-6-4-2/h3-18H2,1-2H3,(H,19,20)
InChIKey
RHDXLWRMKPYIFH-UHFFFAOYSA-N
Compound name
decyl octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

279
Patents

350.2586 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.26588 198.1
[M+Na]+ 373.24782 200.0
[M-H]- 349.25132 193.6
[M+NH4]+ 368.29242 192.6
[M+K]+ 389.22176 197.2
[M+H-H2O]+ 333.25586 189.1
[M+HCOO]- 395.25680 210.3
[M+CH3COO]- 409.27245 215.1
[M+Na-2H]- 371.23327 195.6
[M]+ 350.25805 208.4
[M]- 350.25915 208.4
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

patents stripe