CID 22926230

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

Structural Information

Molecular Formula
C6H2BrCl2F
SMILES
C1=C(C=C(C(=C1Cl)F)Cl)Br
InChI
InChI=1S/C6H2BrCl2F/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChIKey
MMJSIYGLDQNUTH-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dichloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
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 132.1
[M+Na]+ 264.85932 148.2
[M-H]- 240.86282 137.5
[M+NH4]+ 259.90392 155.3
[M+K]+ 280.83326 134.1
[M+H-H2O]+ 224.86736 134.1
[M+HCOO]- 286.86830 144.9
[M+CH3COO]- 300.88395 187.4
[M+Na-2H]- 262.84477 139.4
[M]+ 241.86955 152.0
[M]- 241.87065 152.0
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