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

207
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 137.1
[M+Na]+ 318.85897 143.2
[M-H]- 294.86247 137.2
[M+NH4]+ 313.90357 155.9
[M+K]+ 334.83291 138.5
[M+H-H2O]+ 278.86701 134.4
[M+HCOO]- 340.86795 154.7
[M+CH3COO]- 354.88360 189.5
[M+Na-2H]- 316.84442 134.2
[M]+ 295.86920 152.2
[M]- 295.87030 152.2
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