CID 23158386

4-bromo-1,2-diiodobenzene

Structural Information

Molecular Formula
C6H3BrI2
SMILES
C1=CC(=C(C=C1Br)I)I
InChI
InChI=1S/C6H3BrI2/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChIKey
PAZSCXJJBDSVGI-UHFFFAOYSA-N
Compound name
4-bromo-1,2-diiodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

407.75076 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.75804 141.4
[M+Na]+ 430.73998 139.6
[M-H]- 406.74348 136.1
[M+NH4]+ 425.78458 153.4
[M+K]+ 446.71392 141.7
[M+H-H2O]+ 390.74802 135.5
[M+HCOO]- 452.74896 152.7
[M+CH3COO]- 466.76461 203.5
[M+Na-2H]- 428.72543 132.5
[M]+ 407.75021 151.3
[M]- 407.75131 151.3
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