CID 84787709

2-bromo-3-fluoro-5-methoxyphenol

Structural Information

Molecular Formula
C7H6BrFO2
SMILES
COC1=CC(=C(C(=C1)F)Br)O
InChI
InChI=1S/C7H6BrFO2/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3,10H,1H3
InChIKey
PCNLOJWCHPFNRI-UHFFFAOYSA-N
Compound name
2-bromo-3-fluoro-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.95352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.960796 134.5
[M+Na]+ 242.942738 148.0
[M-H]- 218.946244 139.2
[M+NH4]+ 237.987343 156.5
[M+K]+ 258.916678 137.2
[M+H-H2O]+ 202.950780 134.5
[M+HCOO]- 264.951721 155.1
[M+CH3COO]- 278.967371 183.3
[M+Na-2H]- 240.928186 141.5
[M]+ 219.95297142 153.2
[M]- 219.95406858 153.2
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

No patent data available for this compound.