CID 103429

(trichlorophenyl)phenylmethane

Structural Information

Molecular Formula
C13H9Cl3
SMILES
C1=CC=C(C=C1)CC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C13H9Cl3/c14-10-7-12(15)11(13(16)8-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey
DFCHLMGRYVGFSL-UHFFFAOYSA-N
Compound name
2-benzyl-1,3,5-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

269.977 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.98428 153.5
[M+Na]+ 292.96622 164.5
[M-H]- 268.96972 158.4
[M+NH4]+ 288.01082 171.5
[M+K]+ 308.94016 156.9
[M+H-H2O]+ 252.97426 148.8
[M+HCOO]- 314.97520 162.8
[M+CH3COO]- 328.99085 165.8
[M+Na-2H]- 290.95167 157.5
[M]+ 269.97645 156.9
[M]- 269.97755 156.9
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.