CID 247988

1,1-bis-(4-fluorophenyl)-2,2-dichloroethane

Structural Information

Molecular Formula
C14H10Cl2F2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)F)C(Cl)Cl)F
InChI
InChI=1S/C14H10Cl2F2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,13-14H
InChIKey
DTWVWSKVQMPTOU-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-fluorophenyl)ethyl]-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

286.01276 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02004 155.1
[M+Na]+ 309.00198 164.4
[M-H]- 285.00548 158.4
[M+NH4]+ 304.04658 172.1
[M+K]+ 324.97592 157.3
[M+H-H2O]+ 269.01002 147.8
[M+HCOO]- 331.01096 165.8
[M+CH3COO]- 345.02661 199.6
[M+Na-2H]- 306.98743 157.1
[M]+ 286.01221 155.4
[M]- 286.01331 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe