CID 104621

53852-20-3

Structural Information

Molecular Formula
C26H55O4P
SMILES
CCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
InChI
InChI=1S/C26H55O4P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-30-31(27,28)29-25-23-21-19-17-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,27,28)
InChIKey
CIQXVRIRQCPIGY-UHFFFAOYSA-N
Compound name
dodecyl tetradecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

462.3838 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.39108 224.0
[M+Na]+ 485.37302 227.1
[M-H]- 461.37652 208.7
[M+NH4]+ 480.41762 222.0
[M+K]+ 501.34696 224.5
[M+H-H2O]+ 445.38106 214.6
[M+HCOO]- 507.38200 236.8
[M+CH3COO]- 521.39765 238.6
[M+Na-2H]- 483.35847 207.5
[M]+ 462.38325 222.5
[M]- 462.38435 222.5
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