CID 2773341

4-bromo-3-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1=CC(=C(C=C1C(=O)O)F)Br
InChI
InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
RMYOGXPGIDWJLU-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1726
Patents

217.93787 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94515 136.6
[M+Na]+ 240.92709 139.6
[M+NH4]+ 235.97169 140.7
[M+K]+ 256.90103 140.2
[M-H]- 216.93059 135.3
[M+Na-2H]- 238.91254 139.3
[M]+ 217.93732 135.3
[M]- 217.93842 135.3
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