CID 6295

Perthane

Structural Information

Molecular Formula
C18H20Cl2
SMILES
CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl
InChI
InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3
InChIKey
QFMDFTQOJHFVNR-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

16
References

8847
Patents

306.0942 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10148 169.4
[M+Na]+ 329.08342 177.0
[M-H]- 305.08692 174.8
[M+NH4]+ 324.12802 185.7
[M+K]+ 345.05736 169.7
[M+H-H2O]+ 289.09146 163.3
[M+HCOO]- 351.09240 180.8
[M+CH3COO]- 365.10805 206.0
[M+Na-2H]- 327.06887 170.3
[M]+ 306.09365 173.1
[M]- 306.09475 173.1
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.