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

18
Patents

230.9354 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.942676 141.9
[M+Na]+ 253.924618 154.0
[M-H]- 229.928124 145.4
[M+NH4]+ 248.969223 165.0
[M+K]+ 269.898558 148.9
[M+H-H2O]+ 213.932660 136.1
[M+HCOO]- 275.933601 161.9
[M+CH3COO]- 289.949251 156.4
[M+Na-2H]- 251.910066 148.5
[M]+ 230.93485142 146.0
[M]- 230.93594858 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