CID 6435387

Brn 5950138

Structural Information

Molecular Formula

C₁₁H₈ClN₂OSe

SMILES

CN1C(=O)/C(=C/C2=CC=C(C=C2)Cl)/N=C1[Se]

InChI

InChI=1S/C11H8ClN2OSe/c1-14-10(15)9(13-11(14)16)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-

InChIKey

ZXPRGYFMTPGYFQ-TWGQIWQCSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 298.94904 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]+	299.95632	159.9
[M+Na]+	321.93826	174.6
[M+NH4]+	316.98286	167.8
[M+K]+	337.91220	168.0
[M-H]-	297.94176	162.4
[M+Na-2H]-	319.92371	166.2
[M]+	298.94849	162.9
[M]-	298.94959	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.