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 163.4
[M+Na]+ 299.01940 169.0
[M-H]- 275.02290 169.2
[M+NH4]+ 294.06400 177.6
[M+K]+ 314.99334 156.3
[M+H-H2O]+ 259.02744 165.6
[M+HCOO]- 321.02838 184.3
[M+CH3COO]- 335.04403 186.6
[M+Na-2H]- 297.00485 170.6
[M]+ 276.02963 161.2
[M]- 276.03073 161.2
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.