CID 3067582

1,2-benzisoselenazol-3(2h)-one, 6-methyl-2-phenyl-

Structural Information

Molecular Formula
C14H11NOSe
SMILES
CC1=CC2=C(C=C1)C(=O)N([Se]2)C3=CC=CC=C3
InChI
InChI=1S/C14H11NOSe/c1-10-7-8-12-13(9-10)17-15(14(12)16)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
SSMHBFAVMHUSJN-UHFFFAOYSA-N
Compound name
6-methyl-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

No literature data available for this compound.

Patent stripe

patents stripe