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]+ 340.90325 152.9
[M+Na]+ 362.88519 156.9
[M-H]- 338.88869 152.2
[M+NH4]+ 357.92979 169.6
[M+K]+ 378.85913 152.5
[M+H-H2O]+ 322.89323 149.2
[M+HCOO]- 384.89417 168.9
[M+CH3COO]- 398.90982 196.2
[M+Na-2H]- 360.87064 147.9
[M]+ 339.89542 168.8
[M]- 339.89652 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.