CID 17532

2642-80-0

Structural Information

Molecular Formula
C14H11Cl3
SMILES
C1=CC(=CC=C1C(CCl)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-8,14H,9H2
InChIKey
CHBOSHOWERDCMH-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

58
References

1190
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

literature stripe

Patent stripe

patents stripe