CID 2736288

2-bromo-4,5-difluorophenol

Structural Information

Molecular Formula
C6H3BrF2O
SMILES
C1=C(C(=CC(=C1F)F)Br)O
InChI
InChI=1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H
InChIKey
FCYZOOHWUOEAOX-UHFFFAOYSA-N
Compound name
2-bromo-4,5-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

434
Patents

207.93353 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.94081 131.0
[M+Na]+ 230.92275 144.9
[M-H]- 206.92625 134.5
[M+NH4]+ 225.96735 153.4
[M+K]+ 246.89669 133.4
[M+H-H2O]+ 190.93079 130.5
[M+HCOO]- 252.93173 150.6
[M+CH3COO]- 266.94738 181.2
[M+Na-2H]- 228.90820 137.8
[M]+ 207.93298 146.7
[M]- 207.93408 146.7
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