CID 53831953

2df5t

Structural Information

Molecular Formula
C25H26F2
SMILES
CCCCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)CC)F)F
InChI
InChI=1S/C25H26F2/c1-3-5-6-7-19-10-14-21(15-11-19)23-17-16-22(24(26)25(23)27)20-12-8-18(4-2)9-13-20/h8-17H,3-7H2,1-2H3
InChIKey
GDCAOXRCOPMSEG-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

364.20026 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.20754 190.5
[M+Na]+ 387.18948 198.5
[M-H]- 363.19298 197.3
[M+NH4]+ 382.23408 203.3
[M+K]+ 403.16342 190.4
[M+H-H2O]+ 347.19752 178.9
[M+HCOO]- 409.19846 210.1
[M+CH3COO]- 423.21411 221.7
[M+Na-2H]- 385.17493 189.9
[M]+ 364.19971 190.4
[M]- 364.20081 190.4
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