CID 59131822

4-(dimethylphosphoryl)benzaldehyde

Structural Information

Molecular Formula

C₉H₁₁O₂P

SMILES

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

InChI

InChI=1S/C9H11O2P/c1-12(2,11)9-5-3-8(7-10)4-6-9/h3-7H,1-2H3

InChIKey

WDMBCRVEFNOAFB-UHFFFAOYSA-N

Compound name

4-dimethylphosphorylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.04967 Da
Monoisotopic Mass: 0.4
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]+	183.05695	138.2
[M+Na]+	205.03889	147.1
[M-H]-	181.04239	141.2
[M+NH4]+	200.08349	159.1
[M+K]+	221.01283	145.3
[M+H-H2O]+	165.04693	130.9
[M+HCOO]-	227.04787	167.2
[M+CH3COO]-	241.06352	182.0
[M+Na-2H]-	203.02434	142.6
[M]+	182.04912	141.1
[M]-	182.05022	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe