CID 22089449

4chbzof2p

Structural Information

Molecular Formula
C25H31FO2
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)CC)F
InChI
InChI=1S/C25H31FO2/c1-3-5-6-18-7-9-20(10-8-18)21-11-13-22(14-12-21)25(27)28-23-16-15-19(4-2)24(26)17-23/h11-18,20H,3-10H2,1-2H3
InChIKey
DTRLGWBQIYEIKC-UHFFFAOYSA-N
Compound name
(4-ethyl-3-fluorophenyl) 4-(4-butylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.2308 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.23808 196.5
[M+Na]+ 405.22002 200.2
[M-H]- 381.22352 203.4
[M+NH4]+ 400.26462 207.9
[M+K]+ 421.19396 194.4
[M+H-H2O]+ 365.22806 185.7
[M+HCOO]- 427.22900 212.5
[M+CH3COO]- 441.24465 222.4
[M+Na-2H]- 403.20547 193.2
[M]+ 382.23025 194.2
[M]- 382.23135 194.2
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