CID 447532

Ru79072

Structural Information

Molecular Formula

C₁₀H₇N₂O₄P

SMILES

C1=CC2=C(C(=C1)OP(=O)(O)O)N=C(C=C2)C#N

InChI

InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15)

InChIKey

NQLPTOOPFMPCHQ-UHFFFAOYSA-N

Compound name

(2-cyanoquinolin-8-yl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 250.01434 Da
Monoisotopic Mass: 0.6
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]+	251.02162	151.6
[M+Na]+	273.00356	162.2
[M-H]-	249.00706	151.0
[M+NH4]+	268.04816	165.8
[M+K]+	288.97750	158.3
[M+H-H2O]+	233.01160	137.0
[M+HCOO]-	295.01254	172.0
[M+CH3COO]-	309.02819	199.4
[M+Na-2H]-	270.98901	156.7
[M]+	250.01379	148.2
[M]-	250.01489	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe