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

1168
Patents

283.99265 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.99993 157.6
[M+Na]+ 306.98187 167.0
[M-H]- 282.98537 162.1
[M+NH4]+ 302.02647 174.7
[M+K]+ 322.95581 159.5
[M+H-H2O]+ 266.98991 152.6
[M+HCOO]- 328.99085 165.7
[M+CH3COO]- 343.00650 169.1
[M+Na-2H]- 304.96732 160.7
[M]+ 283.99210 160.5
[M]- 283.99320 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.