CID 19818221

281680-30-6

Structural Information

Molecular Formula
C19H25F3
SMILES
CC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C19H25F3/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/h10-15H,2-9H2,1H3
InChIKey
FZFRUMHSCFYCBW-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

651
Patents

310.19083 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.19811 175.1
[M+Na]+ 333.18005 179.5
[M-H]- 309.18355 179.4
[M+NH4]+ 328.22465 189.6
[M+K]+ 349.15399 173.6
[M+H-H2O]+ 293.18809 163.9
[M+HCOO]- 355.18903 187.1
[M+CH3COO]- 369.20468 208.8
[M+Na-2H]- 331.16550 171.0
[M]+ 310.19028 163.1
[M]- 310.19138 163.1
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