CID 75816

Dodecyl dihydrogen phosphate

Structural Information

Molecular Formula
C12H27O4P
SMILES
CCCCCCCCCCCCOP(=O)(O)O
InChI
InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)
InChIKey
TVACALAUIQMRDF-UHFFFAOYSA-N
Compound name
dodecyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

21
References

22935
Patents

266.1647 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17198 171.3
[M+Na]+ 289.15392 175.2
[M-H]- 265.15742 166.4
[M+NH4]+ 284.19852 187.1
[M+K]+ 305.12786 173.0
[M+H-H2O]+ 249.16196 163.6
[M+HCOO]- 311.16290 194.7
[M+CH3COO]- 325.17855 194.5
[M+Na-2H]- 287.13937 171.3
[M]+ 266.16415 177.2
[M]- 266.16525 177.2
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

No patent data available for this compound.