CID 136087

Benzoselenazole

Structural Information

Molecular Formula
C7H5NSe
SMILES
C1=CC=C2C(=C1)N=C[Se]2
InChI
InChI=1S/C7H5NSe/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
InChIKey
AIGNCQCMONAWOL-UHFFFAOYSA-N
Compound name
1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16210
Patents

182.95872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.965996 130.3
[M+Na]+ 205.947938 140.3
[M-H]- 181.951444 133.6
[M+NH4]+ 200.992543 153.9
[M+K]+ 221.921878 137.4
[M+H-H2O]+ 165.955980 123.8
[M+HCOO]- 227.956921 155.5
[M+CH3COO]- 241.972571 145.1
[M+Na-2H]- 203.933386 139.6
[M]+ 182.95817142 131.4
[M]- 182.95926858 131.4
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