CID 5708

85539-83-9

Structural Information

Molecular Formula
C10H8N2Se2
SMILES
C1=CC(=CC=C1C[Se]C#N)C[Se]C#N
InChI
InChI=1S/C10H8N2Se2/c11-7-13-5-9-1-2-10(4-3-9)6-14-8-12/h1-4H,5-6H2
InChIKey
QFTBWTJGZHUOAW-UHFFFAOYSA-N
Compound name
[4-(selenocyanatomethyl)phenyl]methyl selenocyanate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

63
References

185
Patents

315.9018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.90908 179.9
[M+Na]+ 338.89102 188.6
[M+NH4]+ 333.93562 180.7
[M+K]+ 354.86496 176.4
[M-H]- 314.89452 170.3
[M+Na-2H]- 336.87647 178.9
[M]+ 315.90125 177.2
[M]- 315.90235 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe