CID 3067566

1,2-benzisoselenazol-3(2h)-one, 2-(4-methylphenyl)-

Structural Information

Molecular Formula
C14H11NOSe
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C14H11NOSe/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
InChIKey
TUVKZFWBFHCOGE-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

18
Patents

289.00058 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00786 159.1
[M+Na]+ 311.98980 170.3
[M-H]- 287.99330 166.2
[M+NH4]+ 307.03440 178.7
[M+K]+ 327.96374 164.8
[M+H-H2O]+ 271.99784 151.1
[M+HCOO]- 333.99878 183.6
[M+CH3COO]- 348.01443 172.7
[M+Na-2H]- 309.97525 164.5
[M]+ 289.00003 161.9
[M]- 289.00113 161.9
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