CID 45607

Bis(2-bromo-4-chlorophenyl)iodonium chloride

Structural Information

Molecular Formula
C12H6Br2Cl2I
SMILES
C1=CC(=C(C=C1Cl)Br)[I+]C2=C(C=C(C=C2)Cl)Br
InChI
InChI=1S/C12H6Br2Cl2I/c13-9-5-7(15)1-3-11(9)17-12-4-2-8(16)6-10(12)14/h1-6H/q+1
InChIKey
UPHRLNNUXQIKAD-UHFFFAOYSA-N
Compound name
bis(2-bromo-4-chlorophenyl)iodanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.7258 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.73308 168.0
[M+Na]+ 527.71502 175.6
[M-H]- 503.71852 171.2
[M+NH4]+ 522.75962 181.4
[M+K]+ 543.68896 158.9
[M+H-H2O]+ 487.72306 175.3
[M+HCOO]- 549.72400 173.2
[M+CH3COO]- 563.73965 216.0
[M+Na-2H]- 525.70047 165.7
[M]+ 504.72525 199.5
[M]- 504.72635 199.5
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

No patent data available for this compound.