CID 451462

74270-28-3

Structural Information

Molecular Formula

C₁₀H₁₁O₅P

SMILES

C1CC2=C(C1)C=C(C=C2)OP(=O)(C(=O)O)O

InChI

InChI=1S/C10H11O5P/c11-10(12)16(13,14)15-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H,11,12)(H,13,14)

InChIKey

FCEYNDZHHCDFGQ-UHFFFAOYSA-N

Compound name

[2,3-dihydro-1H-inden-5-yloxy(hydroxy)phosphoryl]formic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 242.03441 Da
Monoisotopic Mass: 1.4
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]+	243.04169	150.5
[M+Na]+	265.02363	157.2
[M-H]-	241.02713	151.2
[M+NH4]+	260.06823	169.6
[M+K]+	280.99757	155.5
[M+H-H2O]+	225.03167	143.6
[M+HCOO]-	287.03261	174.6
[M+CH3COO]-	301.04826	184.9
[M+Na-2H]-	263.00908	152.8
[M]+	242.03386	151.3
[M]-	242.03496	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe