CID 11645823

1-bromo-4-(2-iodo-1-methoxyethyl)benzene

Structural Information

Molecular Formula
C9H10BrIO
SMILES
COC(CI)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H10BrIO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,6H2,1H3
InChIKey
BTPHWSZXWYFMJP-UHFFFAOYSA-N
Compound name
1-bromo-4-(2-iodo-1-methoxyethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.89597 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.903246 152.9
[M+Na]+ 362.885188 156.9
[M-H]- 338.888694 152.2
[M+NH4]+ 357.929793 169.6
[M+K]+ 378.859128 152.5
[M+H-H2O]+ 322.893230 149.2
[M+HCOO]- 384.894171 168.9
[M+CH3COO]- 398.909821 196.2
[M+Na-2H]- 360.870636 147.9
[M]+ 339.89542142 168.8
[M]- 339.89651858 168.8
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

No patent data available for this compound.