CID 24820504

2-bromo-3-fluorobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

201.94296 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.950236 129.6
[M+Na]+ 224.932178 143.1
[M-H]- 200.935684 135.4
[M+NH4]+ 219.976783 152.7
[M+K]+ 240.906118 132.2
[M+H-H2O]+ 184.940220 129.7
[M+HCOO]- 246.941161 151.7
[M+CH3COO]- 260.956811 182.0
[M+Na-2H]- 222.917626 137.9
[M]+ 201.94241142 147.7
[M]- 201.94350858 147.7
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