CID 3023888

1-(2-chloroethoxy)-4-dodecylbenzene

Structural Information

Molecular Formula
C20H33ClO
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OCCCl
InChI
InChI=1S/C20H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)22-18-17-21/h13-16H,2-12,17-18H2,1H3
InChIKey
KFPRSDHSMFRDKN-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-4-dodecylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.222 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22928 183.7
[M+Na]+ 347.21122 188.1
[M-H]- 323.21472 185.2
[M+NH4]+ 342.25582 199.1
[M+K]+ 363.18516 181.9
[M+H-H2O]+ 307.21926 176.6
[M+HCOO]- 369.22020 200.2
[M+CH3COO]- 383.23585 211.3
[M+Na-2H]- 345.19667 184.6
[M]+ 324.22145 191.4
[M]- 324.22255 191.4
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.