CID 98491

1,1-bis(p-chlorophenyl)-2-chloroethene

Structural Information

Molecular Formula
C14H9Cl3
SMILES
C1=CC(=CC=C1C(=CCl)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H
InChIKey
LNKQQZFLNUVWQQ-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-chloro-1-(4-chlorophenyl)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2319
References

649
Patents

281.977 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.98428 157.2
[M+Na]+ 304.96622 166.9
[M-H]- 280.96972 161.7
[M+NH4]+ 300.01082 174.3
[M+K]+ 320.94016 158.9
[M+H-H2O]+ 264.97426 152.2
[M+HCOO]- 326.97520 165.5
[M+CH3COO]- 340.99085 168.7
[M+Na-2H]- 302.95167 160.2
[M]+ 281.97645 159.4
[M]- 281.97755 159.4
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