CID 15339730

(5-bromo-2-iodophenyl)methanol

Structural Information

Molecular Formula
C7H6BrIO
SMILES
C1=CC(=C(C=C1Br)CO)I
InChI
InChI=1S/C7H6BrIO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
LBMPOOHWJBYWPY-UHFFFAOYSA-N
Compound name
(5-bromo-2-iodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

311.8647 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.87198 142.4
[M+Na]+ 334.85392 140.4
[M+NH4]+ 329.89852 144.2
[M+K]+ 350.82786 142.5
[M-H]- 310.85742 137.8
[M+Na-2H]- 332.83937 135.6
[M]+ 311.86415 138.8
[M]- 311.86525 138.8
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

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