CID 56604674

1349718-22-4

Structural Information

Molecular Formula
C6H2BrF2I
SMILES
C1=C(C(=CC(=C1Br)I)F)F
InChI
InChI=1S/C6H2BrF2I/c7-3-1-4(8)5(9)2-6(3)10/h1-2H
InChIKey
ZAKBIMNEMILSPG-UHFFFAOYSA-N
Compound name
1-bromo-4,5-difluoro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

317.83527 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.84255 137.5
[M+Na]+ 340.82449 144.8
[M-H]- 316.82799 135.7
[M+NH4]+ 335.86909 155.6
[M+K]+ 356.79843 139.5
[M+H-H2O]+ 300.83253 133.4
[M+HCOO]- 362.83347 153.5
[M+CH3COO]- 376.84912 192.6
[M+Na-2H]- 338.80994 133.4
[M]+ 317.83472 150.6
[M]- 317.83582 150.6
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