CID 578935

76802-59-0

Structural Information

Molecular Formula
C19H29F
SMILES
CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H29F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h12-17H,2-11H2,1H3
InChIKey
ZPNZXIUICNXXNC-UHFFFAOYSA-N
Compound name
1-fluoro-4-(4-heptylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

276.22534 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.23262 169.8
[M+Na]+ 299.21456 173.1
[M-H]- 275.21806 173.3
[M+NH4]+ 294.25916 185.8
[M+K]+ 315.18850 168.1
[M+H-H2O]+ 259.22260 160.9
[M+HCOO]- 321.22354 187.0
[M+CH3COO]- 335.23919 203.1
[M+Na-2H]- 297.20001 170.0
[M]+ 276.22479 165.9
[M]- 276.22589 165.9
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

No patent data available for this compound.