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

38
Patents

245.96918 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97646 141.1
[M+Na]+ 268.95840 154.5
[M-H]- 244.96190 146.8
[M+NH4]+ 264.00300 162.7
[M+K]+ 284.93234 143.5
[M+H-H2O]+ 228.96644 140.6
[M+HCOO]- 290.96738 162.6
[M+CH3COO]- 304.98303 190.6
[M+Na-2H]- 266.94385 147.6
[M]+ 245.96863 161.6
[M]- 245.96973 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