CID 2168163

361465-10-3

Structural Information

Molecular Formula
C11H11BrO3
SMILES
COC1=C(C(=CC(=C1)C=O)Br)OCC=C
InChI
InChI=1S/C11H11BrO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h3,5-7H,1,4H2,2H3
InChIKey
NYCZXYRKJNJTDT-UHFFFAOYSA-N
Compound name
3-bromo-5-methoxy-4-prop-2-enoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

269.98917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 147.3
[M+Na]+ 292.97839 159.9
[M-H]- 268.98189 154.0
[M+NH4]+ 288.02299 167.9
[M+K]+ 308.95233 148.9
[M+H-H2O]+ 252.98643 147.2
[M+HCOO]- 314.98737 169.6
[M+CH3COO]- 329.00302 194.9
[M+Na-2H]- 290.96384 153.5
[M]+ 269.98862 170.2
[M]- 269.98972 170.2
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

patents stripe