CID 99118733

Ns00058230

Structural Information

Molecular Formula
C14H10Cl4
SMILES
C1=CC=C(C=C1)C(CC2=C(C(=CC=C2)Cl)Cl)(Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-12-8-4-5-10(13(12)16)9-14(17,18)11-6-2-1-3-7-11/h1-8H,9H2
InChIKey
YAYSVTJKFDKJFP-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-(2,2-dichloro-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.95367 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.960946 166.4
[M+Na]+ 340.942888 175.8
[M-H]- 316.946394 169.3
[M+NH4]+ 335.987493 181.7
[M+K]+ 356.916828 168.2
[M+H-H2O]+ 300.950930 161.6
[M+HCOO]- 362.951871 168.1
[M+CH3COO]- 376.967521 203.8
[M+Na-2H]- 338.928336 169.3
[M]+ 317.95312142 168.5
[M]- 317.95421858 168.5
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.