CID 86085052

2-bromo-1-ethynyl-4-methoxybenzene

Structural Information

Molecular Formula
C9H7BrO
SMILES
COC1=CC(=C(C=C1)C#C)Br
InChI
InChI=1S/C9H7BrO/c1-3-7-4-5-8(11-2)6-9(7)10/h1,4-6H,2H3
InChIKey
YHUWMNIAOKWTQR-UHFFFAOYSA-N
Compound name
2-bromo-1-ethynyl-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.96803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.97531 134.6
[M+Na]+ 232.95725 139.8
[M+NH4]+ 228.00185 137.4
[M+K]+ 248.93119 136.1
[M-H]- 208.96075 129.0
[M+Na-2H]- 230.94270 136.8
[M]+ 209.96748 132.1
[M]- 209.96858 132.1
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.