CID 10331382

5-bromo-2-tert-butylphenol

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC(C)(C)C1=C(C=C(C=C1)Br)O
InChI
InChI=1S/C10H13BrO/c1-10(2,3)8-5-4-7(11)6-9(8)12/h4-6,12H,1-3H3
InChIKey
WVASYFONLONAQS-UHFFFAOYSA-N
Compound name
5-bromo-2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

228.01498 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 143.5
[M+Na]+ 251.004198 155.5
[M-H]- 227.007704 149.1
[M+NH4]+ 246.048803 165.3
[M+K]+ 266.978138 144.3
[M+H-H2O]+ 211.012240 144.6
[M+HCOO]- 273.013181 162.4
[M+CH3COO]- 287.028831 186.0
[M+Na-2H]- 248.989646 150.7
[M]+ 228.01443142 162.0
[M]- 228.01552858 162.0
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