CID 75857

4-phenoxybutyl chloride

Structural Information

Molecular Formula
C10H13ClO
SMILES
C1=CC=C(C=C1)OCCCCCl
InChI
InChI=1S/C10H13ClO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
JKXCPAVECBFBOC-UHFFFAOYSA-N
Compound name
4-chlorobutoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

184.06549 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07277 137.3
[M+Na]+ 207.05471 151.5
[M+NH4]+ 202.09931 147.1
[M+K]+ 223.02865 142.8
[M-H]- 183.05821 140.3
[M+Na-2H]- 205.04016 145.6
[M]+ 184.06494 140.6
[M]- 184.06604 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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