CID 3067587

1,2-benzisoselenazol-3(2h)-one, 7-methoxy-2-phenyl-

Structural Information

Molecular Formula
C14H11NO2Se
SMILES
COC1=CC=CC2=C1[Se]N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11NO2Se/c1-17-12-9-5-8-11-13(12)18-15(14(11)16)10-6-3-2-4-7-10/h2-9H,1H3
InChIKey
VYFOBZAIPIKAPR-UHFFFAOYSA-N
Compound name
7-methoxy-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

304.9955 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00278 162.5
[M+Na]+ 327.98472 173.5
[M-H]- 303.98822 169.6
[M+NH4]+ 323.02932 181.3
[M+K]+ 343.95866 168.7
[M+H-H2O]+ 287.99276 154.2
[M+HCOO]- 349.99370 187.2
[M+CH3COO]- 364.00935 175.9
[M+Na-2H]- 325.97017 167.9
[M]+ 304.99495 166.7
[M]- 304.99605 166.7
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