CID 82018

Alpha-oxobenzeneacetamide

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=C(C=C1)C(=O)C(=O)N
InChI
InChI=1S/C8H7NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKey
WFRSBFQCMFWRTD-UHFFFAOYSA-N
Compound name
2-oxo-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

567
Patents

149.04768 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 129.4
[M+Na]+ 172.03690 140.5
[M+NH4]+ 167.08150 137.2
[M+K]+ 188.01084 135.8
[M-H]- 148.04040 131.0
[M+Na-2H]- 170.02235 135.8
[M]+ 149.04713 131.2
[M]- 149.04823 131.2
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