CID 473629

Ads-j9

Structural Information

Molecular Formula
C19H11ClN4O7
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C19H11ClN4O7/c20-17-9-13(23(28)29)6-8-16(17)19(25)21-18-10-14(24(30)31)5-7-15(18)11-1-3-12(4-2-11)22(26)27/h1-10H,(H,21,25)
InChIKey
FRTXXIUMDPQLFC-UHFFFAOYSA-N
Compound name
2-chloro-4-nitro-N-[5-nitro-2-(4-nitrophenyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

442.03162 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.03890 203.1
[M+Na]+ 465.02084 204.0
[M-H]- 441.02434 210.7
[M+NH4]+ 460.06544 207.6
[M+K]+ 480.99478 188.5
[M+H-H2O]+ 425.02888 205.7
[M+HCOO]- 487.02982 222.0
[M+CH3COO]- 501.04547 213.7
[M+Na-2H]- 463.00629 209.2
[M]+ 442.03107 199.7
[M]- 442.03217 199.7
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.