CID 306850

14295-17-1

Structural Information

Molecular Formula
C13H10ClN3O2
SMILES
C1=CC=C(C(=C1)C=NNC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H10ClN3O2/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)17(18)19/h1-9,16H
InChIKey
VYNDYTODNXRKJN-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.04614 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05342 159.7
[M+Na]+ 298.03536 166.4
[M-H]- 274.03886 167.3
[M+NH4]+ 293.07996 175.5
[M+K]+ 314.00930 157.6
[M+H-H2O]+ 258.04340 156.8
[M+HCOO]- 320.04434 184.3
[M+CH3COO]- 334.05999 197.2
[M+Na-2H]- 296.02081 168.0
[M]+ 275.04559 159.9
[M]- 275.04669 159.9
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

patents stripe