CID 51000072

1-bromo-4-chloro-2-iodobenzene

Structural Information

Molecular Formula
C6H3BrClI
SMILES
C1=CC(=C(C=C1Cl)I)Br
InChI
InChI=1S/C6H3BrClI/c7-5-2-1-4(8)3-6(5)9/h1-3H
InChIKey
ROJJKFAXAOCLKK-UHFFFAOYSA-N
Compound name
1-bromo-4-chloro-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

302
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

No literature data available for this compound.

Patent stripe

patents stripe