CID 56773885

(5-bromo-3-iodo-2-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H8BrIO2
SMILES
COC1=C(C=C(C=C1I)Br)CO
InChI
InChI=1S/C8H8BrIO2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3,11H,4H2,1H3
InChIKey
PLRYQNRWSOKNMF-UHFFFAOYSA-N
Compound name
(5-bromo-3-iodo-2-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.87524 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.88252 150.8
[M+Na]+ 364.86446 148.5
[M+NH4]+ 359.90906 151.9
[M+K]+ 380.83840 150.8
[M-H]- 340.86796 145.8
[M+Na-2H]- 362.84991 143.0
[M]+ 341.87469 147.1
[M]- 341.87579 147.1
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.