CID 3818635

2-bromo-6-chloro-4-fluorophenol

Structural Information

Molecular Formula
C6H3BrClFO
SMILES
C1=C(C=C(C(=C1Cl)O)Br)F
InChI
InChI=1S/C6H3BrClFO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
CRWILTIFGXJONJ-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.90398 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.91126 131.4
[M+Na]+ 246.89320 146.4
[M-H]- 222.89670 136.2
[M+NH4]+ 241.93780 154.2
[M+K]+ 262.86714 133.3
[M+H-H2O]+ 206.90124 132.8
[M+HCOO]- 268.90218 147.8
[M+CH3COO]- 282.91783 182.2
[M+Na-2H]- 244.87865 138.8
[M]+ 223.90343 150.2
[M]- 223.90453 150.2
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

patents stripe