CID 18085

Diphenyltrichloroethane

Structural Information

Molecular Formula
C14H11Cl3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H11Cl3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey
ZADGQTHIZZOKGE-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

112
Patents

283.99265 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99993 159.0
[M+Na]+ 306.98187 167.1
[M-H]- 282.98537 163.3
[M+NH4]+ 302.02647 175.7
[M+K]+ 322.95581 159.9
[M+H-H2O]+ 266.98991 153.8
[M+HCOO]- 328.99085 165.6
[M+CH3COO]- 343.00650 196.3
[M+Na-2H]- 304.96732 163.9
[M]+ 283.99210 160.7
[M]- 283.99320 160.7
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

No patent data available for this compound.