CID 21198143

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

241.8701 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.877376 132.1
[M+Na]+ 264.859318 148.2
[M-H]- 240.862824 137.5
[M+NH4]+ 259.903923 155.3
[M+K]+ 280.833258 134.1
[M+H-H2O]+ 224.867360 134.1
[M+HCOO]- 286.868301 144.9
[M+CH3COO]- 300.883951 187.4
[M+Na-2H]- 262.844766 139.4
[M]+ 241.86955142 152.0
[M]- 241.87064858 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