CID 3012947

1,2-benzisoselenazol-3(2h)-one

Structural Information

Molecular Formula
C7H5NOSe
SMILES
C1=CC=C2C(=C1)C(=O)N[Se]2
InChI
InChI=1S/C7H5NOSe/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey
UELHWVKBVJWUPY-UHFFFAOYSA-N
Compound name
1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

221
Patents

198.95364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.96092 133.3
[M+Na]+ 221.94286 144.0
[M-H]- 197.94636 135.7
[M+NH4]+ 216.98746 155.8
[M+K]+ 237.91680 140.1
[M+H-H2O]+ 181.95090 127.2
[M+HCOO]- 243.95184 157.4
[M+CH3COO]- 257.96749 147.7
[M+Na-2H]- 219.92831 141.3
[M]+ 198.95309 133.7
[M]- 198.95419 133.7
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