CID 21560038

2-bromo-4-iodo-1-methylbenzene

Structural Information

Molecular Formula
C7H6BrI
SMILES
CC1=C(C=C(C=C1)I)Br
InChI
InChI=1S/C7H6BrI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey
ANRAKTDEUFLKDO-UHFFFAOYSA-N
Compound name
2-bromo-4-iodo-1-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

295.86975 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.87703 136.8
[M+Na]+ 318.85897 135.7
[M+NH4]+ 313.90357 139.4
[M+K]+ 334.83291 137.3
[M-H]- 294.86247 133.1
[M+Na-2H]- 316.84442 131.1
[M]+ 295.86920 133.7
[M]- 295.87030 133.7
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