CID 2827247

1-{3-[(2,4-dinitrophenyl)amino]phenyl}ethanone

Structural Information

Molecular Formula
C14H11N3O5
SMILES
CC(=O)C1=CC(=CC=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O5/c1-9(18)10-3-2-4-11(7-10)15-13-6-5-12(16(19)20)8-14(13)17(21)22/h2-8,15H,1H3
InChIKey
NZXMSLNLTAUBHE-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dinitroanilino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0699 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.07718 168.0
[M+Na]+ 324.05912 181.5
[M+NH4]+ 319.10372 174.3
[M+K]+ 340.03306 180.7
[M-H]- 300.06262 174.1
[M+Na-2H]- 322.04457 174.7
[M]+ 301.06935 171.3
[M]- 301.07045 171.3
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.