CID 624357

3,5-dibromo-4-ethoxybenzaldehyde

Structural Information

Molecular Formula
C9H8Br2O2
SMILES
CCOC1=C(C=C(C=C1Br)C=O)Br
InChI
InChI=1S/C9H8Br2O2/c1-2-13-9-7(10)3-6(5-12)4-8(9)11/h3-5H,2H2,1H3
InChIKey
XBXQIQJDJBMXJQ-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.8891 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.89638 139.5
[M+Na]+ 328.87832 151.4
[M-H]- 304.88182 146.7
[M+NH4]+ 323.92292 158.9
[M+K]+ 344.85226 136.3
[M+H-H2O]+ 288.88636 147.6
[M+HCOO]- 350.88730 156.5
[M+CH3COO]- 364.90295 204.9
[M+Na-2H]- 326.86377 146.5
[M]+ 305.88855 175.8
[M]- 305.88965 175.8
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.