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

88
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

No literature data available for this compound.

Patent stripe

patents stripe