CID 79015319

2-(4-bromo-3-fluorophenyl)acetaldehyde

Structural Information

Molecular Formula
C8H6BrFO
SMILES
C1=CC(=C(C=C1CC=O)F)Br
InChI
InChI=1S/C8H6BrFO/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,4-5H,3H2
InChIKey
VZKQYFRDNISYRK-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-fluorophenyl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

215.9586 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96588 138.1
[M+Na]+ 238.94782 142.1
[M+NH4]+ 233.99242 143.0
[M+K]+ 254.92176 141.1
[M-H]- 214.95132 137.9
[M+Na-2H]- 236.93327 141.8
[M]+ 215.95805 137.4
[M]- 215.95915 137.4
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