CID 101585753

4-bromo-2-chloro-6-iodoanisole

Structural Information

Molecular Formula
C7H5BrClIO
SMILES
COC1=C(C=C(C=C1I)Br)Cl
InChI
InChI=1S/C7H5BrClIO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
InChIKey
NEKZUSWMFKIVRP-UHFFFAOYSA-N
Compound name
5-bromo-1-chloro-3-iodo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

345.8257 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.83298 143.3
[M+Na]+ 368.81492 151.0
[M-H]- 344.81842 143.6
[M+NH4]+ 363.85952 161.3
[M+K]+ 384.78886 144.8
[M+H-H2O]+ 328.82296 141.2
[M+HCOO]- 390.82390 156.9
[M+CH3COO]- 404.83955 195.5
[M+Na-2H]- 366.80037 139.5
[M]+ 345.82515 161.7
[M]- 345.82625 161.7
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