CID 76917

(3-chloropropoxy)benzene

Structural Information

Molecular Formula
C9H11ClO
SMILES
C1=CC=C(C=C1)OCCCCl
InChI
InChI=1S/C9H11ClO/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey
AZXLOLRTEJEZHJ-UHFFFAOYSA-N
Compound name
3-chloropropoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

170.04984 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05712 132.7
[M+Na]+ 193.03906 147.1
[M+NH4]+ 188.08366 142.7
[M+K]+ 209.01300 138.7
[M-H]- 169.04256 135.7
[M+Na-2H]- 191.02451 141.3
[M]+ 170.04929 136.0
[M]- 170.05039 136.0
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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