CID 22443458

3chdfetotefb

Structural Information

Molecular Formula
C23H24F6O
SMILES
CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C3=CC(=C(C(=C3)F)OCC(F)F)F)F
InChI
InChI=1S/C23H24F6O/c1-2-3-13-4-6-14(7-5-13)15-8-17(24)22(18(25)9-15)16-10-19(26)23(20(27)11-16)30-12-21(28)29/h8-11,13-14,21H,2-7,12H2,1H3
InChIKey
SHFSGNCGDAEHFC-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

430.17313 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.18041 202.8
[M+Na]+ 453.16235 210.2
[M-H]- 429.16585 204.1
[M+NH4]+ 448.20695 212.7
[M+K]+ 469.13629 202.5
[M+H-H2O]+ 413.17039 188.0
[M+HCOO]- 475.17133 213.4
[M+CH3COO]- 489.18698 232.9
[M+Na-2H]- 451.14780 195.0
[M]+ 430.17258 194.7
[M]- 430.17368 194.7
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