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

11
Patents

230.9354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94268 141.9
[M+Na]+ 253.92462 154.0
[M-H]- 229.92812 145.4
[M+NH4]+ 248.96922 165.0
[M+K]+ 269.89856 148.9
[M+H-H2O]+ 213.93266 136.1
[M+HCOO]- 275.93360 161.9
[M+CH3COO]- 289.94925 156.4
[M+Na-2H]- 251.91007 148.5
[M]+ 230.93485 146.0
[M]- 230.93595 146.0
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