CID 555340

Phenyl selenocyanate

Structural Information

Molecular Formula
C7H5NSe
SMILES
C1=CC=C(C=C1)[Se]C#N
InChI
InChI=1S/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H
InChIKey
NODWRXQVQYOJGN-UHFFFAOYSA-N
Compound name
phenyl selenocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

182.95872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.965996 134.3
[M+Na]+ 205.947938 144.0
[M-H]- 181.951444 137.2
[M+NH4]+ 200.992543 154.0
[M+K]+ 221.921878 140.7
[M+H-H2O]+ 165.955980 122.0
[M+HCOO]- 227.956921 154.9
[M+CH3COO]- 241.972571 185.2
[M+Na-2H]- 203.933386 141.4
[M]+ 182.95817142 128.9
[M]- 182.95926858 128.9
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