CID 23391212

4ochfbzofcp

Structural Information

Molecular Formula
C24H25F2NO3
SMILES
CCCCOC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F
InChI
InChI=1S/C24H25F2NO3/c1-2-3-12-29-19-8-4-16(5-9-19)17-7-11-21(23(26)13-17)24(28)30-20-10-6-18(15-27)22(25)14-20/h6-7,10-11,13-14,16,19H,2-5,8-9,12H2,1H3
InChIKey
UZACOAMUQYFAMC-UHFFFAOYSA-N
Compound name
(4-cyano-3-fluorophenyl) 4-(4-butoxycyclohexyl)-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.18024 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18752 197.2
[M+Na]+ 436.16946 205.0
[M-H]- 412.17296 201.5
[M+NH4]+ 431.21406 206.1
[M+K]+ 452.14340 197.2
[M+H-H2O]+ 396.17750 179.9
[M+HCOO]- 458.17844 209.8
[M+CH3COO]- 472.19409 234.1
[M+Na-2H]- 434.15491 193.6
[M]+ 413.17969 190.2
[M]- 413.18079 190.2
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