CID 139596254

Dm-fno

Structural Information

Molecular Formula

C₈H₁₀NO₅P

SMILES

CC1=C(C=CC(=C1)OP(=O)(O)OC)N=O

InChI

InChI=1S/C8H10NO5P/c1-6-5-7(3-4-8(6)9-10)14-15(11,12)13-2/h3-5H,1-2H3,(H,11,12)

InChIKey

NLTHCARCZDPGIA-UHFFFAOYSA-N

Compound name

methyl (3-methyl-4-nitrosophenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 231.02966 Da
Monoisotopic Mass: 0.5
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]+	232.03694	144.6
[M+Na]+	254.01888	153.3
[M-H]-	230.02238	147.9
[M+NH4]+	249.06348	163.1
[M+K]+	269.99282	153.6
[M+H-H2O]+	214.02692	136.4
[M+HCOO]-	276.02786	175.5
[M+CH3COO]-	290.04351	191.5
[M+Na-2H]-	252.00433	149.8
[M]+	231.02911	150.8
[M]-	231.03021	150.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.