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

61
Patents

379.19476 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.202036 193.4
[M+Na]+ 402.183978 200.7
[M-H]- 378.187484 198.8
[M+NH4]+ 397.228583 203.5
[M+K]+ 418.157918 192.3
[M+H-H2O]+ 362.192020 177.0
[M+HCOO]- 424.192961 206.8
[M+CH3COO]- 438.208611 228.7
[M+Na-2H]- 400.169426 190.8
[M]+ 379.19421142 185.7
[M]- 379.19530858 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