CID 203726

Vermella

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

CC1=CC(=C(C=C1Br)C(C)C)O

InChI

InChI=1S/C10H13BrO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3

InChIKey

ZSIQWWYOUYOECH-UHFFFAOYSA-N

Compound name

4-bromo-5-methyl-2-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 140
References: 10074
Patents: 228.01498 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.022256	142.1
[M+Na]+	251.004198	154.1
[M-H]-	227.007704	147.7
[M+NH4]+	246.048803	163.9
[M+K]+	266.978138	143.0
[M+H-H2O]+	211.012240	142.8
[M+HCOO]-	273.013181	161.5
[M+CH3COO]-	287.028831	188.2
[M+Na-2H]-	248.989646	147.0
[M]+	228.01443142	160.9
[M]-	228.01552858	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe