CID 114300

Selenocyanic acid, 4-methoxy-2-nitrophenyl ester

Structural Information

Molecular Formula

C₈H₆N₂O₃Se

SMILES

COC1=CC(=C(C=C1)[Se]C#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O3Se/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3

InChIKey

YLSDNOIGUSRJFJ-UHFFFAOYSA-N

Compound name

(4-methoxy-2-nitrophenyl) selenocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.95435 Da
Monoisotopic Mass: None
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]+	258.96163	148.1
[M+Na]+	280.94357	160.5
[M+NH4]+	275.98817	152.3
[M+K]+	296.91751	153.4
[M-H]-	256.94707	143.6
[M+Na-2H]-	278.92902	151.1
[M]+	257.95380	147.6
[M]-	257.95490	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe