CID 2724604

1,3-dibromo-2-chloro-5-fluorobenzene

Structural Information

Molecular Formula
C6H2Br2ClF
SMILES
C1=C(C=C(C(=C1Br)Cl)Br)F
InChI
InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
PZKDJJMHRYNBOR-UHFFFAOYSA-N
Compound name
1,3-dibromo-2-chloro-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

259
Patents

285.81958 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.82686 133.9
[M+Na]+ 308.80880 148.0
[M-H]- 284.81230 140.4
[M+NH4]+ 303.85340 154.8
[M+K]+ 324.78274 130.9
[M+H-H2O]+ 268.81684 142.8
[M+HCOO]- 330.81778 146.8
[M+CH3COO]- 344.83343 200.7
[M+Na-2H]- 306.79425 141.4
[M]+ 285.81903 168.2
[M]- 285.82013 168.2
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

patents stripe