CID 12930961

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

No literature data available for this compound.

Patent stripe

patents stripe