CID 18468191

5-bromo-4-fluoro-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H4BrFO3
SMILES
C1=C(C(=CC(=C1Br)F)O)C(=O)O
InChI
InChI=1S/C7H4BrFO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChIKey
AJOOCGAVXMXLLF-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

233.93279 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.94007 137.0
[M+Na]+ 256.92201 149.7
[M-H]- 232.92551 140.3
[M+NH4]+ 251.96661 157.4
[M+K]+ 272.89595 138.4
[M+H-H2O]+ 216.93005 136.9
[M+HCOO]- 278.93099 155.4
[M+CH3COO]- 292.94664 183.0
[M+Na-2H]- 254.90746 142.2
[M]+ 233.93224 153.8
[M]- 233.93334 153.8
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