CID 6083619

Refchem:830950

Structural Information

Molecular Formula
C13H10N2O3
SMILES
C1=CC=C(C=C1)/[N+](=C/C2=CC=C(C=C2)[N+](=O)[O-])/[O-]
InChI
InChI=1S/C13H10N2O3/c16-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)15(17)18/h1-10H/b14-10-
InChIKey
UVECRWKWUJOHSR-UVTDQMKNSA-N
Compound name
1-(4-nitrophenyl)-N-phenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

242.06914 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.076416 154.7
[M+Na]+ 265.058358 159.4
[M-H]- 241.061864 160.9
[M+NH4]+ 260.102963 169.3
[M+K]+ 281.032298 147.9
[M+H-H2O]+ 225.066400 155.8
[M+HCOO]- 287.067341 180.3
[M+CH3COO]- 301.082991 181.9
[M+Na-2H]- 263.043806 163.5
[M]+ 242.06859142 149.9
[M]- 242.06968858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe