CID 117721567

4-bromo-2-ethoxy-6-fluorobenzaldehyde

Structural Information

Molecular Formula
C9H8BrFO2
SMILES
CCOC1=C(C(=CC(=C1)Br)F)C=O
InChI
InChI=1S/C9H8BrFO2/c1-2-13-9-4-6(10)3-8(11)7(9)5-12/h3-5H,2H2,1H3
InChIKey
PCVSUPHHCNMYTQ-UHFFFAOYSA-N
Compound name
4-bromo-2-ethoxy-6-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

245.96918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.976456 141.1
[M+Na]+ 268.958398 154.5
[M-H]- 244.961904 146.8
[M+NH4]+ 264.003003 162.7
[M+K]+ 284.932338 143.5
[M+H-H2O]+ 228.966440 140.6
[M+HCOO]- 290.967381 162.6
[M+CH3COO]- 304.983031 190.6
[M+Na-2H]- 266.943846 147.6
[M]+ 245.96863142 161.6
[M]- 245.96972858 161.6
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

patents stripe