CID 147314085

943538-31-6

Structural Information

Molecular Formula
C23H28F2
SMILES
CCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CC)F)F
InChI
InChI=1S/C23H28F2/c1-3-5-17-8-12-19(13-9-17)21-15-14-20(22(24)23(21)25)18-10-6-16(4-2)7-11-18/h6-7,10-11,14-15,17,19H,3-5,8-9,12-13H2,1-2H3
InChIKey
CYNICQFTBANSDN-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

342.2159 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22318 184.9
[M+Na]+ 365.20512 190.6
[M-H]- 341.20862 191.0
[M+NH4]+ 360.24972 198.4
[M+K]+ 381.17906 183.6
[M+H-H2O]+ 325.21316 173.8
[M+HCOO]- 387.21410 201.0
[M+CH3COO]- 401.22975 216.9
[M+Na-2H]- 363.19057 182.4
[M]+ 342.21535 179.8
[M]- 342.21645 179.8
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