CID 26596525

4-bromo-5-fluoro-2-methoxyphenol

Structural Information

Molecular Formula
C7H6BrFO2
SMILES
COC1=CC(=C(C=C1O)F)Br
InChI
InChI=1S/C7H6BrFO2/c1-11-7-2-4(8)5(9)3-6(7)10/h2-3,10H,1H3
InChIKey
BJNIUDHOXUKBCY-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

219.95352 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96080 138.6
[M+Na]+ 242.94274 142.1
[M+NH4]+ 237.98734 143.0
[M+K]+ 258.91668 142.2
[M-H]- 218.94624 137.7
[M+Na-2H]- 240.92819 141.4
[M]+ 219.95297 137.6
[M]- 219.95407 137.6
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