CID 81970

4-bromo-3,5-dimethylphenol

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC1=CC(=CC(=C1Br)C)O
InChI
InChI=1S/C8H9BrO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3
InChIKey
WMUWDPLTTLJNPE-UHFFFAOYSA-N
Compound name
4-bromo-3,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1638
Patents

199.98367 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.7
[M+Na]+ 222.97289 137.4
[M+NH4]+ 218.01749 138.3
[M+K]+ 238.94683 137.1
[M-H]- 198.97639 133.7
[M+Na-2H]- 220.95834 136.8
[M]+ 199.98312 132.5
[M]- 199.98422 132.5
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