CID 23391222

3chdfbzofp

Structural Information

Molecular Formula
C22H23F3O2
SMILES
CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC=C(C=C3)F)F
InChI
InChI=1S/C22H23F3O2/c1-2-3-14-4-6-15(7-5-14)16-12-19(24)21(20(25)13-16)22(26)27-18-10-8-17(23)9-11-18/h8-15H,2-7H2,1H3
InChIKey
QMWXDULQCGVFDB-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

376.165 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17228 189.9
[M+Na]+ 399.15422 195.9
[M-H]- 375.15772 194.9
[M+NH4]+ 394.19882 201.6
[M+K]+ 415.12816 189.9
[M+H-H2O]+ 359.16226 177.8
[M+HCOO]- 421.16320 204.7
[M+CH3COO]- 435.17885 220.2
[M+Na-2H]- 397.13967 186.2
[M]+ 376.16445 184.8
[M]- 376.16555 184.8
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