CID 2756921

4-bromo-2,5-difluoroiodobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
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

literature stripe

Patent stripe

patents stripe