CID 19917886

150190-99-1

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

7
Patents

205.93787 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.94515 131.0
[M+Na]+ 228.92709 144.4
[M-H]- 204.93059 134.5
[M+NH4]+ 223.97169 152.8
[M+K]+ 244.90103 132.8
[M+H-H2O]+ 188.93513 131.3
[M+HCOO]- 250.93607 150.4
[M+CH3COO]- 264.95172 178.1
[M+Na-2H]- 226.91254 137.9
[M]+ 205.93732 147.5
[M]- 205.93842 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