CID 195298

119206-62-1

Structural Information

Molecular Formula
C25H41F7O5
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C
InChI
InChI=1S/C25H41F7O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35-18-21(37-20(2)33)19-36-22(34)23(26,27)24(28,29)25(30,31)32/h21H,3-19H2,1-2H3/t21-/m1/s1
InChIKey
JFMAWTVFERLZEZ-OAQYLSRUSA-N
Compound name
[(2R)-2-acetyloxy-3-hexadecoxypropyl] 2,2,3,3,4,4,4-heptafluorobutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

554.28424 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.29152 214.0
[M+Na]+ 577.27346 220.2
[M-H]- 553.27696 211.9
[M+NH4]+ 572.31806 223.4
[M+K]+ 593.24740 224.2
[M+H-H2O]+ 537.28150 211.2
[M+HCOO]- 599.28244 223.3
[M+CH3COO]- 613.29809 250.9
[M+Na-2H]- 575.25891 204.6
[M]+ 554.28369 212.8
[M]- 554.28479 212.8
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.