CID 22019361

3-bromo-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO
SMILES
C1=CC(=C(C(=C1)Br)F)C=O
InChI
InChI=1S/C7H4BrFO/c8-6-3-1-2-5(4-10)7(6)9/h1-4H
InChIKey
OUAZPCKRSSEQKB-UHFFFAOYSA-N
Compound name
3-bromo-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

671
Patents

201.94296 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.95024 133.6
[M+Na]+ 224.93218 137.7
[M+NH4]+ 219.97678 138.6
[M+K]+ 240.90612 137.0
[M-H]- 200.93568 133.4
[M+Na-2H]- 222.91763 137.5
[M]+ 201.94241 132.9
[M]- 201.94351 132.9
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