CID 168799491

2ch4odfp

Structural Information

Molecular Formula
C18H26F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)CC)F)F
InChI
InChI=1S/C18H26F2O/c1-3-5-12-21-16-11-10-15(17(19)18(16)20)14-8-6-13(4-2)7-9-14/h10-11,13-14H,3-9,12H2,1-2H3
InChIKey
JRORGMOWNGIOJA-UHFFFAOYSA-N
Compound name
1-butoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.19516 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.20244 171.4
[M+Na]+ 319.18438 177.0
[M-H]- 295.18788 174.5
[M+NH4]+ 314.22898 187.1
[M+K]+ 335.15832 172.4
[M+H-H2O]+ 279.19242 162.0
[M+HCOO]- 341.19336 188.1
[M+CH3COO]- 355.20901 207.1
[M+Na-2H]- 317.16983 170.1
[M]+ 296.19461 168.3
[M]- 296.19571 168.3
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

patents stripe