CID 50998390

2-bromo-3-chloro-1,4-difluorobenzene

Structural Information

Molecular Formula
C6H2BrClF2
SMILES
C1=CC(=C(C(=C1F)Cl)Br)F
InChI
InChI=1S/C6H2BrClF2/c7-5-3(9)1-2-4(10)6(5)8/h1-2H
InChIKey
WDSQBLDNVHUJRA-UHFFFAOYSA-N
Compound name
2-bromo-3-chloro-1,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.89964 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.90692 131.1
[M+Na]+ 248.88886 146.7
[M-H]- 224.89236 135.9
[M+NH4]+ 243.93346 154.5
[M+K]+ 264.86280 133.7
[M+H-H2O]+ 208.89690 131.6
[M+HCOO]- 270.89784 147.8
[M+CH3COO]- 284.91349 185.5
[M+Na-2H]- 246.87431 138.4
[M]+ 225.89909 149.3
[M]- 225.90019 149.3
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