CID 5866408

N-(4-chloro-2-nitrobenzylidene)aniline n-oxide

Structural Information

Molecular Formula
C13H9ClN2O3
SMILES
C1=CC=C(C=C1)/[N+](=C/C2=C(C=C(C=C2)Cl)[N+](=O)[O-])/[O-]
InChI
InChI=1S/C13H9ClN2O3/c14-11-7-6-10(13(8-11)16(18)19)9-15(17)12-4-2-1-3-5-12/h1-9H/b15-9-
InChIKey
IXMAPCVZFXBSHU-DHDCSXOGSA-N
Compound name
1-(4-chloro-2-nitrophenyl)-N-phenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.03018 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.03746 161.5
[M+Na]+ 299.01940 178.3
[M+NH4]+ 294.06400 170.5
[M+K]+ 314.99334 174.4
[M-H]- 275.02290 168.9
[M+Na-2H]- 297.00485 170.5
[M]+ 276.02963 166.3
[M]- 276.03073 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.