CID 23391170

5dfmeot

Structural Information

Molecular Formula
C24H24F2O
SMILES
CCCCCC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC)F)F
InChI
InChI=1S/C24H24F2O/c1-3-4-5-6-18-7-8-20(16-23(18)25)22-14-11-19(15-24(22)26)17-9-12-21(27-2)13-10-17/h7-16H,3-6H2,1-2H3
InChIKey
OAVDKUBVUYHAHO-UHFFFAOYSA-N
Compound name
2-fluoro-1-(3-fluoro-4-pentylphenyl)-4-(4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.17953 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18681 189.8
[M+Na]+ 389.16875 198.1
[M-H]- 365.17225 196.9
[M+NH4]+ 384.21335 202.4
[M+K]+ 405.14269 190.9
[M+H-H2O]+ 349.17679 178.2
[M+HCOO]- 411.17773 209.9
[M+CH3COO]- 425.19338 220.8
[M+Na-2H]- 387.15420 189.7
[M]+ 366.17898 190.7
[M]- 366.18008 190.7
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