CID 101307

Ethane, 1,1,1-trichloro-2-(p-chlorophenyl)-2-phenyl-

Structural Information

Molecular Formula
C14H10Cl4
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-12-8-6-11(7-9-12)13(14(16,17)18)10-4-2-1-3-5-10/h1-9,13H
InChIKey
HDIPMQACTWCQQR-UHFFFAOYSA-N
Compound name
1-chloro-4-(2,2,2-trichloro-1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.95367 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.960946 165.3
[M+Na]+ 340.942888 173.7
[M-H]- 316.946394 168.1
[M+NH4]+ 335.987493 180.4
[M+K]+ 356.916828 166.5
[M+H-H2O]+ 300.950930 160.5
[M+HCOO]- 362.951871 166.3
[M+CH3COO]- 376.967521 174.9
[M+Na-2H]- 338.928336 168.0
[M]+ 317.95312142 166.7
[M]- 317.95421858 166.7
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