CID 43405382

3-bromo-4-(difluoromethoxy)-5-ethoxybenzaldehyde

Structural Information

Molecular Formula
C10H9BrF2O3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Br)OC(F)F
InChI
InChI=1S/C10H9BrF2O3/c1-2-15-8-4-6(5-14)3-7(11)9(8)16-10(12)13/h3-5,10H,2H2,1H3
InChIKey
HAGRESFVZPNRMJ-UHFFFAOYSA-N
Compound name
3-bromo-4-(difluoromethoxy)-5-ethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9703 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97758 153.0
[M+Na]+ 316.95952 165.5
[M-H]- 292.96302 157.2
[M+NH4]+ 312.00412 172.5
[M+K]+ 332.93346 154.8
[M+H-H2O]+ 276.96756 151.1
[M+HCOO]- 338.96850 172.4
[M+CH3COO]- 352.98415 198.7
[M+Na-2H]- 314.94497 157.0
[M]+ 293.96975 173.3
[M]- 293.97085 173.3
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.