CID 90128185

Vbch4odfp

Structural Information

Molecular Formula
C24H34F2O
SMILES
CCCCOC1=C(C(=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C24H34F2O/c1-3-5-16-27-22-15-14-21(23(25)24(22)26)20-12-10-19(11-13-20)18-8-6-17(4-2)7-9-18/h4,14-15,17-20H,2-3,5-13,16H2,1H3
InChIKey
FGHDAQLQYQKLHT-UHFFFAOYSA-N
Compound name
1-butoxy-4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

376.25778 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26506 196.1
[M+Na]+ 399.24700 198.4
[M-H]- 375.25050 200.7
[M+NH4]+ 394.29160 207.7
[M+K]+ 415.22094 191.7
[M+H-H2O]+ 359.25504 184.7
[M+HCOO]- 421.25598 207.7
[M+CH3COO]- 435.27163 222.3
[M+Na-2H]- 397.23245 190.0
[M]+ 376.25723 187.6
[M]- 376.25833 187.6
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