CID 512100

72304-97-3

Structural Information

Molecular Formula

C₁₁H₁₃O₅P

SMILES

COC(=O)P(=O)(O)OC1=CC2=C(CCC2)C=C1

InChI

InChI=1S/C11H13O5P/c1-15-11(12)17(13,14)16-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H,13,14)

InChIKey

QPMGKEAXZZUEFI-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-5-yloxy(methoxycarbonyl)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 256.05005 Da
Monoisotopic Mass: 1.8
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]+	257.05733	154.7
[M+Na]+	279.03927	161.5
[M-H]-	255.04277	156.7
[M+NH4]+	274.08387	174.1
[M+K]+	295.01321	160.4
[M+H-H2O]+	239.04731	147.4
[M+HCOO]-	301.04825	180.1
[M+CH3COO]-	315.06390	189.7
[M+Na-2H]-	277.02472	156.9
[M]+	256.04950	157.7
[M]-	256.05060	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe