CID 45573

63938-32-9

Structural Information

Molecular Formula
C16H13Cl5
SMILES
CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)Cl)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl5/c1-9-3-5-11(7-13(9)17)15(16(19,20)21)12-6-4-10(2)14(18)8-12/h3-8,15H,1-2H3
InChIKey
KVTQUBPHWFLVOK-UHFFFAOYSA-N
Compound name
2-chloro-1-methyl-4-[2,2,2-trichloro-1-(3-chloro-4-methylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.94598 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.95326 179.9
[M+Na]+ 402.93520 188.8
[M-H]- 378.93870 181.0
[M+NH4]+ 397.97980 192.6
[M+K]+ 418.90914 181.9
[M+H-H2O]+ 362.94324 175.5
[M+HCOO]- 424.94418 174.7
[M+CH3COO]- 438.95983 216.7
[M+Na-2H]- 400.92065 177.9
[M]+ 379.94543 181.2
[M]- 379.94653 181.2
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.