CID 15255728

1-fluoro-3-(4-propylcyclohexyl)benzene

Structural Information

Molecular Formula
C15H21F
SMILES
CCCC1CCC(CC1)C2=CC(=CC=C2)F
InChI
InChI=1S/C15H21F/c1-2-4-12-7-9-13(10-8-12)14-5-3-6-15(16)11-14/h3,5-6,11-13H,2,4,7-10H2,1H3
InChIKey
UCPPGQWSQUGPEY-UHFFFAOYSA-N
Compound name
1-fluoro-3-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

220.16273 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17001 151.3
[M+Na]+ 243.15195 156.4
[M-H]- 219.15545 155.7
[M+NH4]+ 238.19655 169.7
[M+K]+ 259.12589 152.5
[M+H-H2O]+ 203.15999 143.4
[M+HCOO]- 265.16093 170.0
[M+CH3COO]- 279.17658 191.1
[M+Na-2H]- 241.13740 153.8
[M]+ 220.16218 146.1
[M]- 220.16328 146.1
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