CID 11077801

1-(2-bromoethyl)-2-iodobenzene

Structural Information

Molecular Formula
C8H8BrI
SMILES
C1=CC=C(C(=C1)CCBr)I
InChI
InChI=1S/C8H8BrI/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
UDJQSPYVBMWNRC-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

309.8854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.89268 143.5
[M+Na]+ 332.87462 148.3
[M-H]- 308.87812 143.0
[M+NH4]+ 327.91922 161.5
[M+K]+ 348.84856 143.3
[M+H-H2O]+ 292.88266 140.4
[M+HCOO]- 354.88360 160.7
[M+CH3COO]- 368.89925 191.2
[M+Na-2H]- 330.86007 140.4
[M]+ 309.88485 158.5
[M]- 309.88595 158.5
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