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

10
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 142.7
[M+Na]+ 252.98347 154.4
[M-H]- 228.98697 147.0
[M+NH4]+ 248.02807 163.5
[M+K]+ 268.95741 143.0
[M+H-H2O]+ 212.99151 143.8
[M+HCOO]- 274.99245 160.7
[M+CH3COO]- 289.00810 183.3
[M+Na-2H]- 250.96892 150.0
[M]+ 229.99370 160.5
[M]- 229.99480 160.5
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