CID 173604

3-bromo-4-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO
SMILES
C1=CC(=C(C=C1C=O)Br)F
InChI
InChI=1S/C7H4BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-4H
InChIKey
FAHZIKXYYRGSHF-UHFFFAOYSA-N
Compound name
3-bromo-4-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2122
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

literature stripe

Patent stripe

patents stripe