CID 3067592

1,2-benzisoselenazol-3(2h)-one, 2-(3-bromo-4-hydroxyphenyl)-

Structural Information

Molecular Formula
C13H8BrNO2Se
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC(=C(C=C3)O)Br
InChI
InChI=1S/C13H8BrNO2Se/c14-10-7-8(5-6-11(10)16)15-13(17)9-3-1-2-4-12(9)18-15/h1-7,16H
InChIKey
DMPWNXHUBCJJOU-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-hydroxyphenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.89035 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.89763 168.9
[M+Na]+ 391.87957 175.0
[M+NH4]+ 386.92417 173.7
[M+K]+ 407.85351 174.4
[M-H]- 367.88307 170.9
[M+Na-2H]- 389.86502 173.1
[M]+ 368.88980 169.2
[M]- 368.89090 169.2
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