CID 98986

34844-22-9

Structural Information

Molecular Formula
C19H24F6O2
SMILES
CCCCCCCCC(C(=O)C1=CC=CC=C1)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C19H24F6O2/c1-2-3-4-5-6-10-13-15(16(26)14-11-8-7-9-12-14)17(27,18(20,21)22)19(23,24)25/h7-9,11-12,15,27H,2-6,10,13H2,1H3
InChIKey
XIECRTKGXMMBEX-UHFFFAOYSA-N
Compound name
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1-phenyldecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.16806 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17534 191.4
[M+Na]+ 421.15728 195.6
[M-H]- 397.16078 184.5
[M+NH4]+ 416.20188 201.4
[M+K]+ 437.13122 190.7
[M+H-H2O]+ 381.16532 180.0
[M+HCOO]- 443.16626 198.5
[M+CH3COO]- 457.18191 219.9
[M+Na-2H]- 419.14273 190.4
[M]+ 398.16751 184.5
[M]- 398.16861 184.5
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.