CID 23636210

2-bromo-3-iodoanisole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

311.8647 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.871976 141.5
[M+Na]+ 334.853918 147.3
[M-H]- 310.857424 141.5
[M+NH4]+ 329.898523 159.6
[M+K]+ 350.827858 143.1
[M+H-H2O]+ 294.861960 138.4
[M+HCOO]- 356.862901 159.1
[M+CH3COO]- 370.878551 191.2
[M+Na-2H]- 332.839366 138.3
[M]+ 311.86415142 157.8
[M]- 311.86524858 157.8
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

patents stripe