CID 23391189

2dflt

Structural Information

Molecular Formula
C20H15ClF2
SMILES
CCC1=C(C=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)Cl)F)F
InChI
InChI=1S/C20H15ClF2/c1-2-13-3-4-16(12-19(13)22)18-10-7-15(11-20(18)23)14-5-8-17(21)9-6-14/h3-12H,2H2,1H3
InChIKey
VLHMSQQNBLDHOW-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-(4-ethyl-3-fluorophenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.08304 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09032 173.7
[M+Na]+ 351.07226 184.7
[M-H]- 327.07576 181.2
[M+NH4]+ 346.11686 188.9
[M+K]+ 367.04620 176.1
[M+H-H2O]+ 311.08030 163.8
[M+HCOO]- 373.08124 190.5
[M+CH3COO]- 387.09689 185.4
[M+Na-2H]- 349.05771 175.4
[M]+ 328.08249 174.4
[M]- 328.08359 174.4
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