CID 9566037

2-isonitrosoacetophenone

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1=CC=C(C=C1)C(=O)/C=N/O
InChI
InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6+
InChIKey
MLNKXLRYCLKJSS-RMKNXTFCSA-N
Compound name
(2E)-2-hydroxyimino-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

1045
Patents

149.04768 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.7
[M+Na]+ 172.036898 135.1
[M-H]- 148.040404 131.6
[M+NH4]+ 167.081503 148.5
[M+K]+ 188.010838 133.6
[M+H-H2O]+ 132.044940 121.9
[M+HCOO]- 194.045881 153.6
[M+CH3COO]- 208.061531 175.5
[M+Na-2H]- 170.022346 135.6
[M]+ 149.04713142 127.3
[M]- 149.04822858 127.3
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