CID 46997

12h-benzo[b]phenoselenazine

Structural Information

Molecular Formula

C₁₆H₁₁NSe

SMILES

C1=CC=C2C=C3C(=CC2=C1)NC4=CC=CC=C4[Se]3

InChI

InChI=1S/C16H11NSe/c1-2-6-12-10-16-14(9-11(12)5-1)17-13-7-3-4-8-15(13)18-16/h1-10,17H

InChIKey

CZWCOYRTSIEFAE-UHFFFAOYSA-N

Compound name

12H-benzo[b]phenoselenazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 297.00568 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]+	298.01296	161.5
[M+Na]+	319.99490	178.7
[M+NH4]+	315.03950	172.9
[M+K]+	335.96884	167.6
[M-H]-	295.99840	166.8
[M+Na-2H]-	317.98035	169.5
[M]+	297.00513	165.8
[M]-	297.00623	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe