CID 86725226

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

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC(C)(C1=C(C=C(C=C1)Br)O)O
InChI
InChI=1S/C9H11BrO2/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5,11-12H,1-2H3
InChIKey
WCKADTCJGQXVHY-UHFFFAOYSA-N
Compound name
5-bromo-2-(2-hydroxypropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

229.99425 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00153 141.9
[M+Na]+ 252.98347 144.9
[M+NH4]+ 248.02807 146.3
[M+K]+ 268.95741 145.9
[M-H]- 228.98697 141.4
[M+Na-2H]- 250.96892 144.8
[M]+ 229.99370 141.0
[M]- 229.99480 141.0
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