CID 49757975

2-bromo-1-iodo-4-methoxybenzene

Structural Information

Molecular Formula
C7H6BrIO
SMILES
COC1=CC(=C(C=C1)I)Br
InChI
InChI=1S/C7H6BrIO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey
DIQUDEJWQWDXHP-UHFFFAOYSA-N
Compound name
2-bromo-1-iodo-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

311.8647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87198 141.0
[M+Na]+ 334.85392 139.5
[M+NH4]+ 329.89852 143.1
[M+K]+ 350.82786 141.4
[M-H]- 310.85742 136.9
[M+Na-2H]- 332.83937 134.8
[M]+ 311.86415 137.7
[M]- 311.86525 137.7
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