CID 58997815

323178-01-4

Structural Information

Molecular Formula
C22H26F2O
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C22H26F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h9-16H,3-8H2,1-2H3
InChIKey
DEFRYXBKOCRIJE-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

220
Patents

344.19516 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20244 184.1
[M+Na]+ 367.18438 190.2
[M-H]- 343.18788 190.4
[M+NH4]+ 362.22898 197.4
[M+K]+ 383.15832 184.0
[M+H-H2O]+ 327.19242 173.0
[M+HCOO]- 389.19336 200.7
[M+CH3COO]- 403.20901 215.9
[M+Na-2H]- 365.16983 182.1
[M]+ 344.19461 180.1
[M]- 344.19571 180.1
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