CID 14223977

1-chloro-3-(prop-2-yn-1-yloxy)benzene

Structural Information

Molecular Formula
C9H7ClO
SMILES
C#CCOC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H7ClO/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7H,6H2
InChIKey
MWRDOGDGBQFLTG-UHFFFAOYSA-N
Compound name
1-chloro-3-prop-2-ynoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

166.01854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02582 130.9
[M+Na]+ 189.00776 143.0
[M-H]- 165.01126 133.4
[M+NH4]+ 184.05236 150.3
[M+K]+ 204.98170 137.4
[M+H-H2O]+ 149.01580 120.6
[M+HCOO]- 211.01674 146.0
[M+CH3COO]- 225.03239 185.4
[M+Na-2H]- 186.99321 137.2
[M]+ 166.01799 128.4
[M]- 166.01909 128.4
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