CID 59131561

4648-59-3

Structural Information

Molecular Formula

C₈H₁₀BrOP

SMILES

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

InChI

InChI=1S/C8H10BrOP/c1-11(2,10)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

VVPOOPJRWPTMGB-UHFFFAOYSA-N

Compound name

1-bromo-4-dimethylphosphorylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 176
Patents: 231.96526 Da
Monoisotopic Mass: 1.6
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]+	232.97254	151.0
[M+Na]+	254.95448	163.3
[M-H]-	230.95798	156.7
[M+NH4]+	249.99908	173.4
[M+K]+	270.92842	152.4
[M+H-H2O]+	214.96252	149.7
[M+HCOO]-	276.96346	176.7
[M+CH3COO]-	290.97911	188.1
[M+Na-2H]-	252.93993	156.0
[M]+	231.96471	171.0
[M]-	231.96581	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe