CID 2773761

17211-08-4

Structural Information

Molecular Formula

C₉H₁₂BrO₃P

SMILES

COP(=O)(CC1=CC=C(C=C1)Br)OC

InChI

InChI=1S/C9H12BrO3P/c1-12-14(11,13-2)7-8-3-5-9(10)6-4-8/h3-6H,7H2,1-2H3

InChIKey

UGQVUWCKOLSYSZ-UHFFFAOYSA-N

Compound name

1-bromo-4-(dimethoxyphosphorylmethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 277.97073 Da
Monoisotopic Mass: 1.7
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]+	278.97801	161.0
[M+Na]+	300.95995	172.5
[M-H]-	276.96345	166.3
[M+NH4]+	296.00455	181.4
[M+K]+	316.93389	162.4
[M+H-H2O]+	260.96799	158.8
[M+HCOO]-	322.96893	186.7
[M+CH3COO]-	336.98458	194.7
[M+Na-2H]-	298.94540	165.7
[M]+	277.97018	183.9
[M]-	277.97128	183.9

Literature stripe

literature stripe

Patent stripe

patents stripe