CID 790680

2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde

Structural Information

Molecular Formula
C9H8Br2O3
SMILES
CCOC1=CC(=C(C(=C1O)C=O)Br)Br
InChI
InChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
InChIKey
MZAISYPWQNBWED-UHFFFAOYSA-N
Compound name
2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

321.88403 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89131 142.1
[M+Na]+ 344.87325 153.9
[M-H]- 320.87675 148.2
[M+NH4]+ 339.91785 160.3
[M+K]+ 360.84719 138.3
[M+H-H2O]+ 304.88129 149.8
[M+HCOO]- 366.88223 157.8
[M+CH3COO]- 380.89788 205.4
[M+Na-2H]- 342.85870 148.0
[M]+ 321.88348 178.0
[M]- 321.88458 178.0
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