CID 6435386

79851-70-0

Structural Information

Molecular Formula
C12H11N2OSe
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=N2)[Se])C
InChI
InChI=1S/C12H11N2OSe/c1-8-3-5-9(6-4-8)7-10-11(15)14(2)12(16)13-10/h3-7H,1-2H3/b10-7-
InChIKey
UTLJOFQEARJCID-YFHOEESVSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.01094 159.4
[M+Na]+ 301.99288 169.3
[M-H]- 277.99638 163.8
[M+NH4]+ 297.03748 177.3
[M+K]+ 317.96682 164.8
[M+H-H2O]+ 262.00092 151.2
[M+HCOO]- 324.00186 180.8
[M+CH3COO]- 338.01751 191.1
[M+Na-2H]- 299.97833 160.3
[M]+ 279.00311 160.0
[M]- 279.00421 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.