CID 117713268

4chtefb

Structural Information

Molecular Formula
C22H24F4
SMILES
CCCCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C22H24F4/c1-2-3-4-14-5-7-15(8-6-14)16-9-10-18(19(23)11-16)17-12-20(24)22(26)21(25)13-17/h9-15H,2-8H2,1H3
InChIKey
SSHQWBJEIJXUMM-UHFFFAOYSA-N
Compound name
5-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

364.18143 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18871 187.6
[M+Na]+ 387.17065 194.9
[M-H]- 363.17415 191.5
[M+NH4]+ 382.21525 200.3
[M+K]+ 403.14459 187.1
[M+H-H2O]+ 347.17869 174.9
[M+HCOO]- 409.17963 201.7
[M+CH3COO]- 423.19528 220.5
[M+Na-2H]- 385.15610 183.6
[M]+ 364.18088 180.3
[M]- 364.18198 180.3
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