CID 118005820

1-bromo-5-chloro-2-iodo-3-methoxybenzene

Structural Information

Molecular Formula
C7H5BrClIO
SMILES
COC1=C(C(=CC(=C1)Cl)Br)I
InChI
InChI=1S/C7H5BrClIO/c1-11-6-3-4(9)2-5(8)7(6)10/h2-3H,1H3
InChIKey
NJYWMLSUULTWIA-UHFFFAOYSA-N
Compound name
1-bromo-5-chloro-2-iodo-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

No literature data available for this compound.

Patent stripe

patents stripe