CID 135574831

1-benzoyl-4-formylpyridinium chloride dioxime

Structural Information

Molecular Formula
C13H12N3O2
SMILES
C1=CC=C(C=C1)/C(=N\O)/[N+]2=CC=C(C=C2)/C=N/O
InChI
InChI=1S/C13H11N3O2/c17-14-10-11-6-8-16(9-7-11)13(15-18)12-4-2-1-3-5-12/h1-10,18H/p+1/b15-13+
InChIKey
QNDPQYSVUUYYIG-FYWRMAATSA-O
Compound name
(NE)-N-[[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.09296 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10024 151.7
[M+Na]+ 265.08218 166.3
[M+NH4]+ 260.12678 160.0
[M+K]+ 281.05612 160.3
[M-H]- 241.08568 157.6
[M+Na-2H]- 263.06763 162.0
[M]+ 242.09241 155.6
[M]- 242.09351 155.6
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.