CID 44238311

2-(bromomethyl)-1-iodo-4-methylbenzene

Structural Information

Molecular Formula
C8H8BrI
SMILES
CC1=CC(=C(C=C1)I)CBr
InChI
InChI=1S/C8H8BrI/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3
InChIKey
KURVEUTUDBTKCJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-iodo-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.8854 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

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