CID 2735547

4-bromo-2-chloro-1-iodobenzene

Structural Information

Molecular Formula
C6H3BrClI
SMILES
C1=CC(=C(C=C1Br)Cl)I
InChI
InChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey
OHHKQBZOURGNLR-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

612
Patents

315.81516 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.82244 135.7
[M+Na]+ 338.80438 143.1
[M-H]- 314.80788 135.8
[M+NH4]+ 333.84898 154.6
[M+K]+ 354.77832 136.7
[M+H-H2O]+ 298.81242 133.9
[M+HCOO]- 360.81336 149.5
[M+CH3COO]- 374.82901 190.2
[M+Na-2H]- 336.78983 133.2
[M]+ 315.81461 152.2
[M]- 315.81571 152.2
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