CID 23391167

Fmedft

Structural Information

Molecular Formula
C19H13F3
SMILES
CC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)F)F
InChI
InChI=1S/C19H13F3/c1-12-2-3-15(11-18(12)21)17-9-6-14(10-19(17)22)13-4-7-16(20)8-5-13/h2-11H,1H3
InChIKey
PDXGQZSJWFZUEP-UHFFFAOYSA-N
Compound name
2-fluoro-1-(3-fluoro-4-methylphenyl)-4-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

298.09692 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10420 166.0
[M+Na]+ 321.08614 176.7
[M-H]- 297.08964 172.7
[M+NH4]+ 316.13074 181.5
[M+K]+ 337.06008 169.6
[M+H-H2O]+ 281.09418 154.8
[M+HCOO]- 343.09512 186.6
[M+CH3COO]- 357.11077 178.0
[M+Na-2H]- 319.07159 168.1
[M]+ 298.09637 162.8
[M]- 298.09747 162.8
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