CID 30495

4-ethyl-2-(4-fluorophenyl)hexane-2,4-diol

Structural Information

Molecular Formula
C14H21FO2
SMILES
CCC(CC)(CC(C)(C1=CC=C(C=C1)F)O)O
InChI
InChI=1S/C14H21FO2/c1-4-14(17,5-2)10-13(3,16)11-6-8-12(15)9-7-11/h6-9,16-17H,4-5,10H2,1-3H3
InChIKey
DEKTTZLLHCKGEN-UHFFFAOYSA-N
Compound name
4-ethyl-2-(4-fluorophenyl)hexane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15984 156.5
[M+Na]+ 263.14178 162.7
[M-H]- 239.14528 155.9
[M+NH4]+ 258.18638 173.1
[M+K]+ 279.11572 159.4
[M+H-H2O]+ 223.14982 150.7
[M+HCOO]- 285.15076 172.6
[M+CH3COO]- 299.16641 189.9
[M+Na-2H]- 261.12723 161.4
[M]+ 240.15201 155.6
[M]- 240.15311 155.6
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.