CID 76273

Benzoselenazole, 5-chloro-2-methyl-

Structural Information

Molecular Formula
C8H6ClNSe
SMILES
CC1=NC2=C([Se]1)C=CC(=C2)Cl
InChI
InChI=1S/C8H6ClNSe/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey
MOOMGZFKTVIFAB-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1,3-benzoselenazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

230.9354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94268 138.3
[M+Na]+ 253.92462 154.3
[M+NH4]+ 248.96922 148.8
[M+K]+ 269.89856 147.0
[M-H]- 229.92812 141.3
[M+Na-2H]- 251.91007 146.2
[M]+ 230.93485 141.9
[M]- 230.93595 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe