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]+ 240.98587 137.5
[M+Na]+ 262.96781 152.7
[M-H]- 238.97131 141.8
[M+NH4]+ 258.01241 157.1
[M+K]+ 278.94175 141.2
[M+H-H2O]+ 222.97585 132.0
[M+HCOO]- 284.97679 156.5
[M+CH3COO]- 298.99244 197.4
[M+Na-2H]- 260.95326 143.6
[M]+ 239.97804 152.3
[M]- 239.97914 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.