CID 494212

3-chloro-2-methyl-1,2lambda(5)-benzoselenazole

Structural Information

Molecular Formula
C8H7ClNSe
SMILES
C[N+]1=C(C2=CC=CC=C2[Se]1)Cl
InChI
InChI=1S/C8H7ClNSe/c1-10-8(9)6-4-2-3-5-7(6)11-10/h2-5H,1H3/q+1
InChIKey
DAFXZBHCUGJGDW-UHFFFAOYSA-N
Compound name
3-chloro-2-methyl-1,2-benzoselenazol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94322 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.95050 143.2
[M+Na]+ 254.93244 155.0
[M-H]- 230.93594 146.9
[M+NH4]+ 249.97704 165.9
[M+K]+ 270.90638 144.8
[M+H-H2O]+ 214.94048 140.2
[M+HCOO]- 276.94142 162.9
[M+CH3COO]- 290.95707 173.2
[M+Na-2H]- 252.91789 151.9
[M]+ 231.94267 146.0
[M]- 231.94377 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

No patent data available for this compound.