CID 14496888

Schembl9773446

Structural Information

Molecular Formula

C₁₅H₁₄Br₂O₂

SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC(=C(C(=C2)Br)O)Br

InChI

InChI=1S/C15H14Br2O2/c1-15(2,9-3-5-11(18)6-4-9)10-7-12(16)14(19)13(17)8-10/h3-8,18-19H,1-2H3

InChIKey

LMIMFXUTGAATNM-UHFFFAOYSA-N

Compound name

2,6-dibromo-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 383.93604 Da
Monoisotopic Mass: 5.4
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]+	384.943316	166.4
[M+Na]+	406.925258	176.4
[M-H]-	382.928764	173.6
[M+NH4]+	401.969863	181.9
[M+K]+	422.899198	160.2
[M+H-H2O]+	366.933300	174.0
[M+HCOO]-	428.934241	178.8
[M+CH3COO]-	442.949891	213.3
[M+Na-2H]-	404.910706	171.0
[M]+	383.93549142	199.8
[M]-	383.93658858	199.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe