CID 46835731

4-bromo-1-iodo-2-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
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 141.5
[M+Na]+ 334.85392 147.3
[M-H]- 310.85742 141.5
[M+NH4]+ 329.89852 159.6
[M+K]+ 350.82786 143.1
[M+H-H2O]+ 294.86196 138.4
[M+HCOO]- 356.86290 159.1
[M+CH3COO]- 370.87855 191.2
[M+Na-2H]- 332.83937 138.3
[M]+ 311.86415 157.8
[M]- 311.86525 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