CID 23391227

4ochcaafp

Structural Information

Molecular Formula
C17H23FO3
SMILES
CCCCOC1CCC(CC1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C17H23FO3/c1-2-3-12-20-15-8-4-13(5-9-15)17(19)21-16-10-6-14(18)7-11-16/h6-7,10-11,13,15H,2-5,8-9,12H2,1H3
InChIKey
BZCVHZAADFWICK-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-butoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

294.16312 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.17040 169.7
[M+Na]+ 317.15234 173.6
[M-H]- 293.15584 173.7
[M+NH4]+ 312.19694 184.6
[M+K]+ 333.12628 170.8
[M+H-H2O]+ 277.16038 160.8
[M+HCOO]- 339.16132 187.4
[M+CH3COO]- 353.17697 202.5
[M+Na-2H]- 315.13779 169.8
[M]+ 294.16257 168.0
[M]- 294.16367 168.0
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