CID 20617678

Schembl10014270

Structural Information

Molecular Formula
C19H23F3
SMILES
CC1CCC(CC1)C2CCC(=CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C19H23F3/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h8,10-14H,2-7,9H2,1H3
InChIKey
BJPOHBCQTKBGKF-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

308.17517 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18245 173.3
[M+Na]+ 331.16439 178.9
[M-H]- 307.16789 178.1
[M+NH4]+ 326.20899 188.0
[M+K]+ 347.13833 172.7
[M+H-H2O]+ 291.17243 162.1
[M+HCOO]- 353.17337 186.8
[M+CH3COO]- 367.18902 208.5
[M+Na-2H]- 329.14984 170.3
[M]+ 308.17462 162.9
[M]- 308.17572 162.9
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