CID 2761396

4-bromo-2-ethyl-1-iodobenzene

Structural Information

Molecular Formula
C8H8BrI
SMILES
CCC1=C(C=CC(=C1)Br)I
InChI
InChI=1S/C8H8BrI/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2H2,1H3
InChIKey
JWKQXPHYKRQLEJ-UHFFFAOYSA-N
Compound name
4-bromo-2-ethyl-1-iodobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

309.8854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.89268 141.3
[M+Na]+ 332.87462 140.0
[M+NH4]+ 327.91922 143.7
[M+K]+ 348.84856 141.3
[M-H]- 308.87812 137.6
[M+Na-2H]- 330.86007 135.3
[M]+ 309.88485 138.2
[M]- 309.88595 138.2
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