CID 122427810

4-ethoxy-2,3-difluoro-4'-(4-propylphenethyl)-1,1'-biphenyl

Structural Information

Molecular Formula
C25H26F2O
SMILES
CCCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C25H26F2O/c1-3-5-18-6-8-19(9-7-18)10-11-20-12-14-21(15-13-20)22-16-17-23(28-4-2)25(27)24(22)26/h6-9,12-17H,3-5,10-11H2,1-2H3
InChIKey
BGTVMLXNNZHCKW-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

380.19516 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20244 194.5
[M+Na]+ 403.18438 202.2
[M-H]- 379.18788 201.3
[M+NH4]+ 398.22898 206.5
[M+K]+ 419.15832 194.9
[M+H-H2O]+ 363.19242 182.6
[M+HCOO]- 425.19336 214.2
[M+CH3COO]- 439.20901 223.7
[M+Na-2H]- 401.16983 193.8
[M]+ 380.19461 195.7
[M]- 380.19571 195.7
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