CID 19917886

4-bromo-3-fluorobenzene-1,2-diol

Structural Information

Molecular Formula
C6H4BrFO2
SMILES
C1=CC(=C(C(=C1O)O)F)Br
InChI
InChI=1S/C6H4BrFO2/c7-3-1-2-4(9)6(10)5(3)8/h1-2,9-10H
InChIKey
UYBKSOMLVKZASY-UHFFFAOYSA-N
Compound name
4-bromo-3-fluorobenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

205.93787 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.945146 131.0
[M+Na]+ 228.927088 144.4
[M-H]- 204.930594 134.5
[M+NH4]+ 223.971693 152.8
[M+K]+ 244.901028 132.8
[M+H-H2O]+ 188.935130 131.3
[M+HCOO]- 250.936071 150.4
[M+CH3COO]- 264.951721 178.1
[M+Na-2H]- 226.912536 137.9
[M]+ 205.93732142 147.5
[M]- 205.93841858 147.5
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