CID 63684368

1-chloro-6-(2-propoxyethoxy)hexane

Structural Information

Molecular Formula
C11H23ClO2
SMILES
CCCOCCOCCCCCCCl
InChI
InChI=1S/C11H23ClO2/c1-2-8-13-10-11-14-9-6-4-3-5-7-12/h2-11H2,1H3
InChIKey
FMQNSOOEPBBQPW-UHFFFAOYSA-N
Compound name
1-chloro-6-(2-propoxyethoxy)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

222.13866 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14594 153.1
[M+Na]+ 245.12788 159.1
[M-H]- 221.13138 152.3
[M+NH4]+ 240.17248 172.6
[M+K]+ 261.10182 156.3
[M+H-H2O]+ 205.13592 148.4
[M+HCOO]- 267.13686 171.3
[M+CH3COO]- 281.15251 190.1
[M+Na-2H]- 243.11333 157.1
[M]+ 222.13811 161.0
[M]- 222.13921 161.0
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