CID 23391176

3chdfbzodfp

Structural Information

Molecular Formula
C22H22F4O2
SMILES
CCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(=O)OC3=CC(=C(C=C3)F)F)F
InChI
InChI=1S/C22H22F4O2/c1-2-3-13-4-6-14(7-5-13)15-10-19(25)21(20(26)11-15)22(27)28-16-8-9-17(23)18(24)12-16/h8-14H,2-7H2,1H3
InChIKey
PWCOSNNNJUHMGD-UHFFFAOYSA-N
Compound name
(3,4-difluorophenyl) 2,6-difluoro-4-(4-propylcyclohexyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

394.15558 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16286 193.3
[M+Na]+ 417.14480 200.3
[M-H]- 393.14830 197.2
[M+NH4]+ 412.18940 204.5
[M+K]+ 433.11874 193.9
[M+H-H2O]+ 377.15284 180.4
[M+HCOO]- 439.15378 207.0
[M+CH3COO]- 453.16943 224.1
[M+Na-2H]- 415.13025 188.2
[M]+ 394.15503 187.5
[M]- 394.15613 187.5
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