CID 12023742

1,2,4-tribromo-5-iodobenzene

Structural Information

Molecular Formula
C6H2Br3I
SMILES
C1=C(C(=CC(=C1Br)I)Br)Br
InChI
InChI=1S/C6H2Br3I/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey
BNXDXWIITANRSS-UHFFFAOYSA-N
Compound name
1,2,4-tribromo-5-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.67514 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.68242 138.6
[M+Na]+ 460.66436 143.7
[M-H]- 436.66786 140.6
[M+NH4]+ 455.70896 151.5
[M+K]+ 476.63830 132.4
[M+H-H2O]+ 420.67240 150.9
[M+HCOO]- 482.67334 146.9
[M+CH3COO]- 496.68899 222.1
[M+Na-2H]- 458.64981 138.1
[M]+ 437.67459 175.5
[M]- 437.67569 175.5
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

No patent data available for this compound.