CID 132014570

5-bromo-2-iodo-1-methoxy-3-methylbenzene

Structural Information

Molecular Formula
C8H8BrIO
SMILES
CC1=CC(=CC(=C1I)OC)Br
InChI
InChI=1S/C8H8BrIO/c1-5-3-6(9)4-7(11-2)8(5)10/h3-4H,1-2H3
InChIKey
FKQIJXBIOPSOJR-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-1-methoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

325.88034 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88762 144.9
[M+Na]+ 348.86956 151.2
[M-H]- 324.87306 145.1
[M+NH4]+ 343.91416 162.8
[M+K]+ 364.84350 146.7
[M+H-H2O]+ 308.87760 141.8
[M+HCOO]- 370.87854 162.2
[M+CH3COO]- 384.89419 194.8
[M+Na-2H]- 346.85501 140.6
[M]+ 325.87979 161.8
[M]- 325.88089 161.8
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