CID 101483601

Vch4odfp

Structural Information

Molecular Formula
C18H24F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)C=C)F)F
InChI
InChI=1S/C18H24F2O/c1-3-5-12-21-16-11-10-15(17(19)18(16)20)14-8-6-13(4-2)7-9-14/h4,10-11,13-14H,2-3,5-9,12H2,1H3
InChIKey
XLGXKPXCMWLFJK-UHFFFAOYSA-N
Compound name
1-butoxy-4-(4-ethenylcyclohexyl)-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

294.17953 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18681 169.9
[M+Na]+ 317.16875 175.8
[M-H]- 293.17225 173.0
[M+NH4]+ 312.21335 185.6
[M+K]+ 333.14269 170.6
[M+H-H2O]+ 277.17679 160.6
[M+HCOO]- 339.17773 186.8
[M+CH3COO]- 353.19338 206.3
[M+Na-2H]- 315.15420 168.6
[M]+ 294.17898 166.1
[M]- 294.18008 166.1
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