CID 138985353

2-bromo-5-ethynyl-1,3-dimethoxybenzene

Structural Information

Molecular Formula
C10H9BrO2
SMILES
COC1=CC(=CC(=C1Br)OC)C#C
InChI
InChI=1S/C10H9BrO2/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h1,5-6H,2-3H3
InChIKey
ZDHGUFPNQPWVKE-UHFFFAOYSA-N
Compound name
2-bromo-5-ethynyl-1,3-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.97859 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.985866 137.5
[M+Na]+ 262.967808 152.7
[M-H]- 238.971314 141.8
[M+NH4]+ 258.012413 157.1
[M+K]+ 278.941748 141.2
[M+H-H2O]+ 222.975850 132.0
[M+HCOO]- 284.976791 156.5
[M+CH3COO]- 298.992441 197.4
[M+Na-2H]- 260.953256 143.6
[M]+ 239.97804142 152.3
[M]- 239.97913858 152.3
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.