CID 105248

1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-octylbenzene

Structural Information

Molecular Formula
C20H33ClO3
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCCOCCCl
InChI
InChI=1S/C20H33ClO3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)24-18-17-23-16-15-22-14-13-21/h9-12H,2-8,13-18H2,1H3
InChIKey
FKZRSAZGVZJHSV-UHFFFAOYSA-N
Compound name
1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-octylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

356.21182 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21910 189.3
[M+Na]+ 379.20104 193.6
[M-H]- 355.20454 190.9
[M+NH4]+ 374.24564 203.2
[M+K]+ 395.17498 188.5
[M+H-H2O]+ 339.20908 181.8
[M+HCOO]- 401.21002 206.3
[M+CH3COO]- 415.22567 215.0
[M+Na-2H]- 377.18649 190.4
[M]+ 356.21127 199.9
[M]- 356.21237 199.9
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

patents stripe