CID 81145

1-tetradecanol, hydrogen phosphate

Structural Information

Molecular Formula
C28H59O4P
SMILES
CCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C28H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,29,30)
InChIKey
CYFHLEMYBPQRGN-UHFFFAOYSA-N
Compound name
ditetradecyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

2033
Patents

490.4151 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.42238 231.2
[M+Na]+ 513.40432 234.0
[M-H]- 489.40782 215.2
[M+NH4]+ 508.44892 229.1
[M+K]+ 529.37826 232.2
[M+H-H2O]+ 473.41236 221.6
[M+HCOO]- 535.41330 243.2
[M+CH3COO]- 549.42895 244.3
[M+Na-2H]- 511.38977 213.8
[M]+ 490.41455 229.5
[M]- 490.41565 229.5
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