CID 86210049

463946-39-6

Structural Information

Molecular Formula
C10H9BrO
SMILES
COC1=CC=CC(=C1)C#CCBr
InChI
InChI=1S/C10H9BrO/c1-12-10-6-2-4-9(8-10)5-3-7-11/h2,4,6,8H,7H2,1H3
InChIKey
HFFALYRTEZBHJI-UHFFFAOYSA-N
Compound name
1-(3-bromoprop-1-ynyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.98367 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 140.2
[M+Na]+ 246.97289 144.9
[M+NH4]+ 242.01749 142.8
[M+K]+ 262.94683 140.8
[M-H]- 222.97639 134.4
[M+Na-2H]- 244.95834 142.2
[M]+ 223.98312 137.6
[M]- 223.98422 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.