CID 171503

56265-25-9

Structural Information

Molecular Formula
C15H13Cl3
SMILES
CC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl3/c1-10(16)15(11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-10,15H,1H3
InChIKey
ODBKMSXIFZZUSF-UHFFFAOYSA-N
Compound name
1-chloro-4-[2-chloro-1-(4-chlorophenyl)propyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.00827 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01555 161.0
[M+Na]+ 320.99749 169.8
[M-H]- 297.00099 165.5
[M+NH4]+ 316.04209 177.6
[M+K]+ 336.97143 162.5
[M+H-H2O]+ 281.00553 156.0
[M+HCOO]- 343.00647 168.0
[M+CH3COO]- 357.02212 172.1
[M+Na-2H]- 318.98294 162.5
[M]+ 298.00772 163.9
[M]- 298.00882 163.9
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.