CID 82072

Diundecyl phosphate

Structural Information

Molecular Formula
C22H47O4P
SMILES
CCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCC
InChI
InChI=1S/C22H47O4P/c1-3-5-7-9-11-13-15-17-19-21-25-27(23,24)26-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3,(H,23,24)
InChIKey
IEMUOVBWPOMLKU-UHFFFAOYSA-N
Compound name
diundecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

406.3212 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.32848 216.2
[M+Na]+ 429.31042 213.2
[M-H]- 405.31392 195.6
[M+NH4]+ 424.35502 207.4
[M+K]+ 445.28436 212.7
[M+H-H2O]+ 389.31846 206.4
[M+HCOO]- 451.31940 223.7
[M+CH3COO]- 465.33505 226.9
[M+Na-2H]- 427.29587 211.7
[M]+ 406.32065 208.2
[M]- 406.32175 208.2
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