CID 46937097

1-decyl-3-trifluoro ethyl-sn-glycero-2-phosphomethanol

Structural Information

Molecular Formula
C16H32F3O6P
SMILES
CCCCCCCCCCOC[C@@H](COCC(F)(F)F)OP(=O)(O)OC
InChI
InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChIKey
YBCDZAGHRGXDRX-HNNXBMFYSA-N
Compound name
[(2S)-1-decoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19615 190.5
[M+Na]+ 431.17809 194.6
[M-H]- 407.18159 184.6
[M+NH4]+ 426.22269 193.7
[M+K]+ 447.15203 190.7
[M+H-H2O]+ 391.18613 190.2
[M+HCOO]- 453.18707 205.6
[M+CH3COO]- 467.20272 221.5
[M+Na-2H]- 429.16354 178.9
[M]+ 408.18832 188.5
[M]- 408.18942 188.5
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

No patent data available for this compound.