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

7
Patents

368.89035 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.89763 170.3
[M+Na]+ 391.87957 184.5
[M-H]- 367.88307 178.8
[M+NH4]+ 386.92417 189.8
[M+K]+ 407.85351 171.7
[M+H-H2O]+ 351.88761 169.3
[M+HCOO]- 413.88855 191.2
[M+CH3COO]- 427.90420 184.7
[M+Na-2H]- 389.86502 175.8
[M]+ 368.88980 191.1
[M]- 368.89090 191.1
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