CID 15014921

132123-39-8

Structural Information

Molecular Formula
C21H23F3
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C21H23F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h8-15H,2-7H2,1H3
InChIKey
RRKRBRVTKIRLHH-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

474
Patents

332.17517 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18245 179.5
[M+Na]+ 355.16439 186.1
[M-H]- 331.16789 184.5
[M+NH4]+ 350.20899 193.3
[M+K]+ 371.13833 179.1
[M+H-H2O]+ 315.17243 167.8
[M+HCOO]- 377.17337 195.1
[M+CH3COO]- 391.18902 213.7
[M+Na-2H]- 353.14984 177.4
[M]+ 332.17462 172.5
[M]- 332.17572 172.5
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