CID 13955175

92118-84-8

Structural Information

Molecular Formula
C25H28FNO2
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F
InChI
InChI=1S/C25H28FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h10-16,18-19H,2-9H2,1H3
InChIKey
JHWDKPIJNPJWBS-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-pentylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

393.21042 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21770 197.3
[M+Na]+ 416.19964 204.1
[M-H]- 392.20314 202.4
[M+NH4]+ 411.24424 206.8
[M+K]+ 432.17358 195.5
[M+H-H2O]+ 376.20768 180.7
[M+HCOO]- 438.20862 210.4
[M+CH3COO]- 452.22427 231.4
[M+Na-2H]- 414.18509 194.1
[M]+ 393.20987 189.9
[M]- 393.21097 189.9
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