CID 28821

17893-55-9

Structural Information

Molecular Formula
C8H7NO4Se
SMILES
C1=CC(=CC=C1[N+](=O)[O-])[Se]CC(=O)O
InChI
InChI=1S/C8H7NO4Se/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)
InChIKey
YQPXZFWIJXKUPR-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)selanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.95404 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96132 148.0
[M+Na]+ 283.94326 159.8
[M+NH4]+ 278.98786 154.8
[M+K]+ 299.91720 157.0
[M-H]- 259.94676 149.7
[M+Na-2H]- 281.92871 152.6
[M]+ 260.95349 149.8
[M]- 260.95459 149.8
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

No patent data available for this compound.