CID 22061

5810-86-6

Structural Information

Molecular Formula
C18H19Cl3
SMILES
CC1=CC(=C(C=C1)C(C2=C(C=C(C=C2)C)C)C(Cl)(Cl)Cl)C
InChI
InChI=1S/C18H19Cl3/c1-11-5-7-15(13(3)9-11)17(18(19,20)21)16-8-6-12(2)10-14(16)4/h5-10,17H,1-4H3
InChIKey
SYIOCCMYRHBPIF-UHFFFAOYSA-N
Compound name
2,4-dimethyl-1-[2,2,2-trichloro-1-(2,4-dimethylphenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.05524 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06252 174.7
[M+Na]+ 363.04446 184.6
[M-H]- 339.04796 179.8
[M+NH4]+ 358.08906 190.5
[M+K]+ 379.01840 177.0
[M+H-H2O]+ 323.05250 169.7
[M+HCOO]- 385.05344 180.1
[M+CH3COO]- 399.06909 211.9
[M+Na-2H]- 361.02991 175.0
[M]+ 340.05469 179.3
[M]- 340.05579 179.3
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

patents stripe