CID 134241664

Bechfb

Structural Information

Molecular Formula
C22H25F
SMILES
C=CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H25F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h2,9-18H,1,3-8H2
InChIKey
HCZRXTOKMNRIDY-UHFFFAOYSA-N
Compound name
1-(4-but-3-enylcyclohexyl)-4-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.19403 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20131 175.8
[M+Na]+ 331.18325 180.3
[M-H]- 307.18675 182.7
[M+NH4]+ 326.22785 190.1
[M+K]+ 347.15719 173.3
[M+H-H2O]+ 291.19129 165.6
[M+HCOO]- 353.19223 193.5
[M+CH3COO]- 367.20788 208.2
[M+Na-2H]- 329.16870 176.0
[M]+ 308.19348 169.9
[M]- 308.19458 169.9
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