CID 616161

14386-64-2

Structural Information

Molecular Formula
C16H23BrO2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CBr
InChI
InChI=1S/C16H23BrO2/c1-15(2,3)11-7-10(13(18)9-17)8-12(14(11)19)16(4,5)6/h7-8,19H,9H2,1-6H3
InChIKey
UYPXQSLSPUBZQW-UHFFFAOYSA-N
Compound name
2-bromo-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

326.08813 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09541 170.8
[M+Na]+ 349.07735 181.4
[M-H]- 325.08085 176.0
[M+NH4]+ 344.12195 189.0
[M+K]+ 365.05129 169.8
[M+H-H2O]+ 309.08539 171.3
[M+HCOO]- 371.08633 185.7
[M+CH3COO]- 385.10198 205.8
[M+Na-2H]- 347.06280 174.1
[M]+ 326.08758 191.1
[M]- 326.08868 191.1
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