CID 13643747

92118-83-7

Structural Information

Molecular Formula
C24H26FNO2
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C24H26FNO2/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(27)28-22-14-13-21(16-26)23(25)15-22/h9-15,17-18H,2-8H2,1H3
InChIKey
KVKDTXQRPCOZPE-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-butylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

379.19476 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20204 193.4
[M+Na]+ 402.18398 200.7
[M-H]- 378.18748 198.8
[M+NH4]+ 397.22858 203.5
[M+K]+ 418.15792 192.3
[M+H-H2O]+ 362.19202 177.0
[M+HCOO]- 424.19296 206.8
[M+CH3COO]- 438.20861 228.7
[M+Na-2H]- 400.16943 190.8
[M]+ 379.19421 185.7
[M]- 379.19531 185.7
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