CID 16919

4-bromo-2,6-dimethylphenol

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC1=CC(=CC(=C1O)C)Br
InChI
InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
InChIKey
ZLVFYUORUHNMBO-UHFFFAOYSA-N
Compound name
4-bromo-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

2100
Patents

199.98367 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 132.4
[M+Na]+ 222.972888 145.5
[M-H]- 198.976394 138.3
[M+NH4]+ 218.017493 155.3
[M+K]+ 238.946828 134.5
[M+H-H2O]+ 182.980930 133.5
[M+HCOO]- 244.981871 153.4
[M+CH3COO]- 258.997521 181.8
[M+Na-2H]- 220.958336 139.6
[M]+ 199.98312142 151.1
[M]- 199.98421858 151.1
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