CID 76127

Benzoselenazolium, 3-ethyl-2-methyl-, iodide

Structural Information

Molecular Formula
C10H12NSe
SMILES
CC[N+]1=C([Se]C2=CC=CC=C21)C
InChI
InChI=1S/C10H12NSe/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1
InChIKey
BBFZPSPVAHKCFK-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-1,3-benzoselenazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.0135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02078 145.8
[M+Na]+ 249.00272 156.2
[M-H]- 225.00622 149.7
[M+NH4]+ 244.04732 168.0
[M+K]+ 264.97666 147.2
[M+H-H2O]+ 209.01076 142.0
[M+HCOO]- 271.01170 169.6
[M+CH3COO]- 285.02735 175.3
[M+Na-2H]- 246.98817 154.1
[M]+ 226.01295 147.5
[M]- 226.01405 147.5
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