CID 519359

1-chloro-2-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H7ClO
SMILES
C#CCOC1=CC=CC=C1Cl
InChI
InChI=1S/C9H7ClO/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6H,7H2
InChIKey
CPJYMVHZHGCWOU-UHFFFAOYSA-N
Compound name
1-chloro-2-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

166.01854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 129.1
[M+Na]+ 189.00776 143.5
[M+NH4]+ 184.05236 135.3
[M+K]+ 204.98170 133.0
[M-H]- 165.01126 124.0
[M+Na-2H]- 186.99321 134.5
[M]+ 166.01799 129.3
[M]- 166.01909 129.3
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

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