CID 618513

1-bromo-2,5-dichloro-3-fluorobenzene

Structural Information

Molecular Formula
C6H2BrCl2F
SMILES
C1=C(C=C(C(=C1F)Cl)Br)Cl
InChI
InChI=1S/C6H2BrCl2F/c7-4-1-3(8)2-5(10)6(4)9/h1-2H
InChIKey
CAYJMDVKWMVOLG-UHFFFAOYSA-N
Compound name
1-bromo-2,5-dichloro-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

241.8701 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.87738 136.6
[M+Na]+ 264.85932 142.8
[M+NH4]+ 259.90392 142.7
[M+K]+ 280.83326 140.7
[M-H]- 240.86282 136.9
[M+Na-2H]- 262.84477 141.2
[M]+ 241.86955 137.1
[M]- 241.87065 137.1
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