CID 20568686

3,5-dibromo-4-fluorophenol

Structural Information

Molecular Formula
C6H3Br2FO
SMILES
C1=C(C=C(C(=C1Br)F)Br)O
InChI
InChI=1S/C6H3Br2FO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H
InChIKey
ZEQMACBOYBDICL-UHFFFAOYSA-N
Compound name
3,5-dibromo-4-fluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.8535 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.86078 145.0
[M+Na]+ 290.84272 140.5
[M+NH4]+ 285.88732 147.0
[M+K]+ 306.81666 146.6
[M-H]- 266.84622 145.0
[M+Na-2H]- 288.82817 146.3
[M]+ 267.85295 143.2
[M]- 267.85405 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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