CID 2773258

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

363
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

literature stripe

Patent stripe

patents stripe