CID 83896349

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

Structural Information

Molecular Formula
C7H4BrFO3
SMILES
C1=C(C(=CC(=C1F)Br)O)C(=O)O
InChI
InChI=1S/C7H4BrFO3/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2,10H,(H,11,12)
InChIKey
MNWUKSCLDBHHKU-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

233.93279 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.940066 137.0
[M+Na]+ 256.922008 149.7
[M-H]- 232.925514 140.3
[M+NH4]+ 251.966613 157.4
[M+K]+ 272.895948 138.4
[M+H-H2O]+ 216.930050 136.9
[M+HCOO]- 278.930991 155.4
[M+CH3COO]- 292.946641 183.0
[M+Na-2H]- 254.907456 142.2
[M]+ 233.93224142 153.8
[M]- 233.93333858 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