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 153.6
[M+Na]+ 265.08218 160.0
[M-H]- 241.08568 159.4
[M+NH4]+ 260.12678 168.5
[M+K]+ 281.05612 150.9
[M+H-H2O]+ 225.09022 147.6
[M+HCOO]- 287.09116 178.6
[M+CH3COO]- 301.10681 186.8
[M+Na-2H]- 263.06763 163.5
[M]+ 242.09241 151.1
[M]- 242.09351 151.1
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.