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]+ 246.97646 145.7
[M+Na]+ 268.95840 149.4
[M+NH4]+ 264.00300 149.9
[M+K]+ 284.93234 148.8
[M-H]- 244.96190 145.0
[M+Na-2H]- 266.94385 148.5
[M]+ 245.96863 144.8
[M]- 245.96973 144.8
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

patents stripe