CID 15176841

131819-22-2

Structural Information

Molecular Formula
C17H23F3
SMILES
CCCCCC1CCC(CC1)C2=CC(=C(C(=C2)F)F)F
InChI
InChI=1S/C17H23F3/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(18)17(20)16(19)11-14/h10-13H,2-9H2,1H3
InChIKey
SBXPWEXVHHTJOO-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-(4-pentylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

284.17517 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18245 166.6
[M+Na]+ 307.16439 172.8
[M-H]- 283.16789 168.5
[M+NH4]+ 302.20899 182.8
[M+K]+ 323.13833 167.4
[M+H-H2O]+ 267.17243 156.6
[M+HCOO]- 329.17337 182.3
[M+CH3COO]- 343.18902 204.8
[M+Na-2H]- 305.14984 165.2
[M]+ 284.17462 160.5
[M]- 284.17572 160.5
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