CID 90345100

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

Structural Information

Molecular Formula
C9H11BrO2
SMILES
CC(C)(C1=C(C=CC(=C1)Br)O)O
InChI
InChI=1S/C9H11BrO2/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,11-12H,1-2H3
InChIKey
LDADVENNUGTRJL-UHFFFAOYSA-N
Compound name
4-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]+ 231.001526 142.7
[M+Na]+ 252.983468 154.4
[M-H]- 228.986974 147.0
[M+NH4]+ 248.028073 163.5
[M+K]+ 268.957408 143.0
[M+H-H2O]+ 212.991510 143.8
[M+HCOO]- 274.992451 160.7
[M+CH3COO]- 289.008101 183.3
[M+Na-2H]- 250.968916 150.0
[M]+ 229.99370142 160.5
[M]- 229.99479858 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