CID 5866408

73651-47-5

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]+ 277.037456 163.4
[M+Na]+ 299.019398 169.0
[M-H]- 275.022904 169.2
[M+NH4]+ 294.064003 177.6
[M+K]+ 314.993338 156.3
[M+H-H2O]+ 259.027440 165.6
[M+HCOO]- 321.028381 184.3
[M+CH3COO]- 335.044031 186.6
[M+Na-2H]- 297.004846 170.6
[M]+ 276.02963142 161.2
[M]- 276.03072858 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.