CID 70829

4-bromo-2,6-di-tert-butylphenol

Structural Information

Molecular Formula
C14H21BrO
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br
InChI
InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey
SSQQUEKFNSJLKX-UHFFFAOYSA-N
Compound name
4-bromo-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

688
Patents

284.07758 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08486 161.0
[M+Na]+ 307.06680 172.6
[M-H]- 283.07030 166.6
[M+NH4]+ 302.11140 181.1
[M+K]+ 323.04074 161.0
[M+H-H2O]+ 267.07484 162.0
[M+HCOO]- 329.07578 177.1
[M+CH3COO]- 343.09143 198.3
[M+Na-2H]- 305.05225 166.3
[M]+ 284.07703 180.6
[M]- 284.07813 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe