CID 12022959

10486-58-5

Structural Information

Molecular Formula
C7H5NSSe
SMILES
C1=CC=C2C(=C1)NC(=S)[Se]2
InChI
InChI=1S/C7H5NSSe/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
VVEQSNONASWWMH-UHFFFAOYSA-N
Compound name
3H-1,3-benzoselenazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

214.93079 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.93807 137.0
[M+Na]+ 237.92001 148.5
[M-H]- 213.92351 139.7
[M+NH4]+ 232.96461 159.8
[M+K]+ 253.89395 143.4
[M+H-H2O]+ 197.92805 131.5
[M+HCOO]- 259.92899 155.8
[M+CH3COO]- 273.94464 151.1
[M+Na-2H]- 235.90546 141.7
[M]+ 214.93024 138.5
[M]- 214.93134 138.5
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