CID 2736313

3-bromo-2-fluorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

883
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 134.1
[M+Na]+ 240.92709 146.7
[M-H]- 216.93059 138.5
[M+NH4]+ 235.97169 155.7
[M+K]+ 256.90103 135.7
[M+H-H2O]+ 200.93513 134.1
[M+HCOO]- 262.93607 153.9
[M+CH3COO]- 276.95172 182.2
[M+Na-2H]- 238.91254 140.6
[M]+ 217.93732 151.1
[M]- 217.93842 151.1
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