CID 131010074

Methyl 4-bromo-2-fluoro-5-hydroxybenzoate

Structural Information

Molecular Formula
C8H6BrFO3
SMILES
COC(=O)C1=CC(=C(C=C1F)Br)O
InChI
InChI=1S/C8H6BrFO3/c1-13-8(12)4-2-7(11)5(9)3-6(4)10/h2-3,11H,1H3
InChIKey
AMHHBRMZDXMAEP-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-fluoro-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.94843 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95571 140.7
[M+Na]+ 270.93765 153.6
[M-H]- 246.94115 145.3
[M+NH4]+ 265.98225 161.4
[M+K]+ 286.91159 143.0
[M+H-H2O]+ 230.94569 140.3
[M+HCOO]- 292.94663 160.3
[M+CH3COO]- 306.96228 187.5
[M+Na-2H]- 268.92310 146.0
[M]+ 247.94788 159.6
[M]- 247.94898 159.6
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