CID 9862384

2-(bromomethyl)-4-chloro-1-iodobenzene

Structural Information

Molecular Formula
C7H5BrClI
SMILES
C1=CC(=C(C=C1Cl)CBr)I
InChI
InChI=1S/C7H5BrClI/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey
IXJKEQUZQPJVKR-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-chloro-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

329.83078 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.83806 140.6
[M+Na]+ 352.82000 147.7
[M-H]- 328.82350 140.6
[M+NH4]+ 347.86460 159.1
[M+K]+ 368.79394 141.0
[M+H-H2O]+ 312.82804 138.6
[M+HCOO]- 374.82898 154.2
[M+CH3COO]- 388.84463 192.8
[M+Na-2H]- 350.80545 137.6
[M]+ 329.83023 157.5
[M]- 329.83133 157.5
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