CID 736327

5-bromo-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C7H4BrFO
SMILES
C1=CC(=C(C=C1Br)C=O)F
InChI
InChI=1S/C7H4BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H
InChIKey
MMFGGDVQLQQQRX-UHFFFAOYSA-N
Compound name
5-bromo-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2366
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 129.6
[M+Na]+ 224.93218 143.1
[M-H]- 200.93568 135.4
[M+NH4]+ 219.97678 152.7
[M+K]+ 240.90612 132.2
[M+H-H2O]+ 184.94022 129.7
[M+HCOO]- 246.94116 151.7
[M+CH3COO]- 260.95681 182.0
[M+Na-2H]- 222.91763 137.9
[M]+ 201.94241 147.7
[M]- 201.94351 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

literature stripe

Patent stripe

patents stripe