CID 2171314

428493-92-9

Structural Information

Molecular Formula
C11H9BrO3
SMILES
COC1=C(C=C(C(=C1)C=O)Br)OCC#C
InChI
InChI=1S/C11H9BrO3/c1-3-4-15-11-6-9(12)8(7-13)5-10(11)14-2/h1,5-7H,4H2,2H3
InChIKey
FMHMAMWYTXOWSD-UHFFFAOYSA-N
Compound name
2-bromo-5-methoxy-4-prop-2-ynoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

267.9735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.980776 143.2
[M+Na]+ 290.962718 158.0
[M-H]- 266.966224 147.3
[M+NH4]+ 286.007323 161.6
[M+K]+ 306.936658 146.3
[M+H-H2O]+ 250.970760 137.2
[M+HCOO]- 312.971701 162.2
[M+CH3COO]- 326.987351 200.8
[M+Na-2H]- 288.948166 148.7
[M]+ 267.97295142 158.8
[M]- 267.97404858 158.8
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

No patent data available for this compound.