CID 302622

2-bromo-3-fluorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

509
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

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