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

8043
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

literature stripe

Patent stripe

patents stripe