CID 4180586

1,2-dichloro-1,2-dimesitylethane

Structural Information

Molecular Formula
C20H24Cl2
SMILES
CC1=CC(=C(C(=C1)C)C(C(C2=C(C=C(C=C2C)C)C)Cl)Cl)C
InChI
InChI=1S/C20H24Cl2/c1-11-7-13(3)17(14(4)8-11)19(21)20(22)18-15(5)9-12(2)10-16(18)6/h7-10,19-20H,1-6H3
InChIKey
ILTZLIFBJJODCG-UHFFFAOYSA-N
Compound name
2-[1,2-dichloro-2-(2,4,6-trimethylphenyl)ethyl]-1,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.12552 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13280 175.0
[M+Na]+ 357.11474 185.3
[M-H]- 333.11824 181.6
[M+NH4]+ 352.15934 191.5
[M+K]+ 373.08868 178.1
[M+H-H2O]+ 317.12278 169.6
[M+HCOO]- 379.12372 185.8
[M+CH3COO]- 393.13937 216.5
[M+Na-2H]- 355.10019 172.3
[M]+ 334.12497 180.9
[M]- 334.12607 180.9
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.