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

1
Patents

387.79593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.803206 145.4
[M+Na]+ 410.785148 151.1
[M-H]- 386.788654 146.7
[M+NH4]+ 405.829753 161.3
[M+K]+ 426.759088 140.8
[M+H-H2O]+ 370.793190 150.3
[M+HCOO]- 432.794131 158.1
[M+CH3COO]- 446.809781 207.9
[M+Na-2H]- 408.770596 143.4
[M]+ 387.79538142 175.5
[M]- 387.79647858 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

patents stripe