CID 534778

2-bromo-4-(2,4,4-trimethylpent-2-yl)phenol

Structural Information

Molecular Formula
C14H21BrO
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)Br
InChI
InChI=1S/C14H21BrO/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10/h6-8,16H,9H2,1-5H3
InChIKey
CZNHJPFJMLYYCU-UHFFFAOYSA-N
Compound name
2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

284.07758 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08486 162.0
[M+Na]+ 307.06680 172.8
[M-H]- 283.07030 167.2
[M+NH4]+ 302.11140 181.8
[M+K]+ 323.04074 161.1
[M+H-H2O]+ 267.07484 162.9
[M+HCOO]- 329.07578 178.2
[M+CH3COO]- 343.09143 197.8
[M+Na-2H]- 305.05225 167.9
[M]+ 284.07703 181.4
[M]- 284.07813 181.4
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