CID 69238957

5-bromo-2-(propan-2-yl)phenol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC(C)C1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C9H11BrO/c1-6(2)8-4-3-7(10)5-9(8)11/h3-6,11H,1-2H3
InChIKey
CYBXJXANDXGSDM-UHFFFAOYSA-N
Compound name
5-bromo-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

213.99933 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.00661 136.6
[M+Na]+ 236.98855 140.5
[M+NH4]+ 232.03315 142.0
[M+K]+ 252.96249 140.5
[M-H]- 212.99205 137.4
[M+Na-2H]- 234.97400 140.3
[M]+ 213.99878 136.2
[M]- 213.99988 136.2
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

patents stripe