CID 77600885

3chpdfpdfv

Structural Information

Molecular Formula
C23H24F4
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C(=C(C3=CC(=C(C=C3)F)F)F)F
InChI
InChI=1S/C23H24F4/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(26)23(27)19-12-13-20(24)21(25)14-19/h8-16H,2-7H2,1H3
InChIKey
IAXBINCUPJMIMO-UHFFFAOYSA-N
Compound name
4-[1,2-difluoro-2-[4-(4-propylcyclohexyl)phenyl]ethenyl]-1,2-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

376.18143 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18871 190.9
[M+Na]+ 399.17065 195.6
[M-H]- 375.17415 193.9
[M+NH4]+ 394.21525 202.2
[M+K]+ 415.14459 187.9
[M+H-H2O]+ 359.17869 178.0
[M+HCOO]- 421.17963 202.9
[M+CH3COO]- 435.19528 221.4
[M+Na-2H]- 397.15610 185.4
[M]+ 376.18088 181.1
[M]- 376.18198 181.1
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