CID 140844

1-iodo-2,4,6-tribromobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

patents stripe