CID 165997773

4-bromo-1-(2-bromoethyl)-2-iodobenzene

Structural Information

Molecular Formula
C8H7Br2I
SMILES
C1=CC(=C(C=C1Br)I)CCBr
InChI
InChI=1S/C8H7Br2I/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4H2
InChIKey
PXNVIOBHFKWVDS-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-bromoethyl)-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.79593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.80321 145.4
[M+Na]+ 410.78515 151.1
[M-H]- 386.78865 146.7
[M+NH4]+ 405.82975 161.3
[M+K]+ 426.75909 140.8
[M+H-H2O]+ 370.79319 150.3
[M+HCOO]- 432.79413 158.1
[M+CH3COO]- 446.80978 207.9
[M+Na-2H]- 408.77060 143.4
[M]+ 387.79538 175.5
[M]- 387.79648 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.