CID 85823546

439141-99-8

Structural Information

Molecular Formula
C21H24F2
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)C)F)F
InChI
InChI=1S/C21H24F2/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-4-14(2)20(22)21(19)23/h4,9-13,15-16H,3,5-8H2,1-2H3
InChIKey
WQOUUCGLWITQDT-UHFFFAOYSA-N
Compound name
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

314.1846 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19188 175.7
[M+Na]+ 337.17382 182.3
[M-H]- 313.17732 182.2
[M+NH4]+ 332.21842 190.4
[M+K]+ 353.14776 175.8
[M+H-H2O]+ 297.18186 165.1
[M+HCOO]- 359.18280 192.5
[M+CH3COO]- 373.19845 211.0
[M+Na-2H]- 335.15927 174.3
[M]+ 314.18405 169.9
[M]- 314.18515 169.9
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

No patent data available for this compound.