CID 118390678

5dft

Structural Information

Molecular Formula
C23H22F2
SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C23H22F2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)22-15-14-21(24)16-23(22)25/h6-16H,2-5H2,1H3
InChIKey
LRDDPBGLASPTOU-UHFFFAOYSA-N
Compound name
2,4-difluoro-1-[4-(4-pentylphenyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

336.16895 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17623 181.5
[M+Na]+ 359.15817 189.4
[M-H]- 335.16167 188.3
[M+NH4]+ 354.20277 195.1
[M+K]+ 375.13211 181.7
[M+H-H2O]+ 319.16621 170.2
[M+HCOO]- 381.16715 201.8
[M+CH3COO]- 395.18280 214.7
[M+Na-2H]- 357.14362 182.7
[M]+ 336.16840 180.2
[M]- 336.16950 180.2
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