CID 70822

Diphenylnitrone

Structural Information

Molecular Formula
C13H11NO
SMILES
C1=CC=C(C=C1)C=[N+](C2=CC=CC=C2)[O-]
InChI
InChI=1S/C13H11NO/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H
InChIKey
ZEAUJQWDPKRESH-UHFFFAOYSA-N
Compound name
N,1-diphenylmethanimine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

264
Patents

197.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.091336 142.4
[M+Na]+ 220.073278 148.2
[M-H]- 196.076784 148.8
[M+NH4]+ 215.117883 160.4
[M+K]+ 236.047218 140.4
[M+H-H2O]+ 180.081320 139.8
[M+HCOO]- 242.082261 168.0
[M+CH3COO]- 256.097911 178.1
[M+Na-2H]- 218.058726 151.5
[M]+ 197.08351142 138.7
[M]- 197.08460858 138.7
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.