CID 19107844

4-ethoxy-2,3-difluoro-4'-pentyl-1,1'-biphenyl

Structural Information

Molecular Formula
C19H22F2O
SMILES
CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C19H22F2O/c1-3-5-6-7-14-8-10-15(11-9-14)16-12-13-17(22-4-2)19(21)18(16)20/h8-13H,3-7H2,1-2H3
InChIKey
RYFAVBRTSOQDNP-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-(4-pentylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

304.16388 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17116 171.4
[M+Na]+ 327.15310 179.7
[M-H]- 303.15660 175.5
[M+NH4]+ 322.19770 187.0
[M+K]+ 343.12704 174.3
[M+H-H2O]+ 287.16114 161.7
[M+HCOO]- 349.16208 192.1
[M+CH3COO]- 363.17773 209.0
[M+Na-2H]- 325.13855 172.6
[M]+ 304.16333 173.0
[M]- 304.16443 173.0
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

patents stripe