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 150.7
[M+Na]+ 250.07127 157.9
[M-H]- 226.07477 156.5
[M+NH4]+ 245.11587 166.4
[M+K]+ 266.04521 148.9
[M+H-H2O]+ 210.07931 145.1
[M+HCOO]- 272.08025 174.6
[M+CH3COO]- 286.09590 182.5
[M+Na-2H]- 248.05672 160.0
[M]+ 227.08150 148.9
[M]- 227.08260 148.9
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.