CID 162516344

3chdfetotfb

Structural Information

Molecular Formula
C23H25F5O
SMILES
CCCC1CCC(CC1)C2=CC(=C(C=C2)C3=C(C(=C(C=C3)OCC(F)F)F)F)F
InChI
InChI=1S/C23H25F5O/c1-2-3-14-4-6-15(7-5-14)16-8-9-17(19(24)12-16)18-10-11-20(23(28)22(18)27)29-13-21(25)26/h8-12,14-15,21H,2-7,13H2,1H3
InChIKey
PKWSITIYIRBLSQ-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethoxy)-2,3-difluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.18256 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18984 199.3
[M+Na]+ 435.17178 205.7
[M-H]- 411.17528 201.6
[M+NH4]+ 430.21638 209.7
[M+K]+ 451.14572 198.5
[M+H-H2O]+ 395.17982 185.3
[M+HCOO]- 457.18076 211.1
[M+CH3COO]- 471.19641 229.0
[M+Na-2H]- 433.15723 192.9
[M]+ 412.18201 192.0
[M]- 412.18311 192.0
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

No patent data available for this compound.