CID 88586

1-(2-chloroethoxy)-4-nonylbenzene

Structural Information

Molecular Formula
C17H27ClO
SMILES
CCCCCCCCCC1=CC=C(C=C1)OCCCl
InChI
InChI=1S/C17H27ClO/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)19-15-14-18/h10-13H,2-9,14-15H2,1H3
InChIKey
OBCNFGRCVPJZEP-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-4-nonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.17505 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18233 169.9
[M+Na]+ 305.16427 175.7
[M-H]- 281.16777 172.1
[M+NH4]+ 300.20887 187.0
[M+K]+ 321.13821 170.2
[M+H-H2O]+ 265.17231 163.5
[M+HCOO]- 327.17325 187.5
[M+CH3COO]- 341.18890 202.4
[M+Na-2H]- 303.14972 172.6
[M]+ 282.17450 176.5
[M]- 282.17560 176.5
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

No patent data available for this compound.