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]+ 318.96095 165.3
[M+Na]+ 340.94289 173.7
[M-H]- 316.94639 168.1
[M+NH4]+ 335.98749 180.4
[M+K]+ 356.91683 166.5
[M+H-H2O]+ 300.95093 160.5
[M+HCOO]- 362.95187 166.3
[M+CH3COO]- 376.96752 174.9
[M+Na-2H]- 338.92834 168.0
[M]+ 317.95312 166.7
[M]- 317.95422 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