CID 135897978

Chlorure de 1 benzoyle de pyridine 4-aldoxime [french]

Structural Information

Molecular Formula
C13H11N2O2
SMILES
C1=CC=C(C=C1)C(=O)[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C13H10N2O2/c16-13(12-4-2-1-3-5-12)15-8-6-11(7-9-15)10-14-17/h1-10H/p+1
InChIKey
UWIPBCXTZSSCJC-UHFFFAOYSA-O
Compound name
[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08205 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08933 147.9
[M+Na]+ 250.07127 163.8
[M+NH4]+ 245.11587 156.7
[M+K]+ 266.04521 157.4
[M-H]- 226.07477 153.6
[M+Na-2H]- 248.05672 158.5
[M]+ 227.08150 152.0
[M]- 227.08260 152.0
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.