CID 16205631

Akos005158168

Structural Information

Molecular Formula
C14H11Cl3
SMILES
C1=CC=C(C=C1)C(CC2=C(C(=CC=C2)Cl)Cl)Cl
InChI
InChI=1S/C14H11Cl3/c15-12-8-4-7-11(14(12)17)9-13(16)10-5-2-1-3-6-10/h1-8,13H,9H2
InChIKey
YCYYKQAOEBEMPG-UHFFFAOYSA-N
Compound name
1,2-dichloro-3-(2-chloro-2-phenylethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.99265 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.999926 157.6
[M+Na]+ 306.981868 167.0
[M-H]- 282.985374 162.1
[M+NH4]+ 302.026473 174.7
[M+K]+ 322.955808 159.5
[M+H-H2O]+ 266.989910 152.6
[M+HCOO]- 328.990851 165.7
[M+CH3COO]- 343.006501 169.1
[M+Na-2H]- 304.967316 160.7
[M]+ 283.99210142 160.5
[M]- 283.99319858 160.5
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.