CID 108009932

1-(2-bromo-5-iodophenyl)ethan-1-ol

Structural Information

Molecular Formula
C8H8BrIO
SMILES
CC(C1=C(C=CC(=C1)I)Br)O
InChI
InChI=1S/C8H8BrIO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-5,11H,1H3
InChIKey
PQWMXRIEUATSOT-UHFFFAOYSA-N
Compound name
1-(2-bromo-5-iodophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.88034 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.88762 148.4
[M+Na]+ 348.86956 153.2
[M-H]- 324.87306 147.1
[M+NH4]+ 343.91416 165.2
[M+K]+ 364.84350 148.1
[M+H-H2O]+ 308.87760 145.3
[M+HCOO]- 370.87854 163.4
[M+CH3COO]- 384.89419 192.2
[M+Na-2H]- 346.85501 142.9
[M]+ 325.87979 162.7
[M]- 325.88089 162.7
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

No patent data available for this compound.