CID 88673

4-chloro-3,5-dinitrobenzamide

Structural Information

Molecular Formula
C7H4ClN3O5
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C7H4ClN3O5/c8-6-4(10(13)14)1-3(7(9)12)2-5(6)11(15)16/h1-2H,(H2,9,12)
InChIKey
XIYABENEBOSULF-UHFFFAOYSA-N
Compound name
4-chloro-3,5-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

244.98395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.99123 147.2
[M+Na]+ 267.97317 154.1
[M-H]- 243.97667 150.4
[M+NH4]+ 263.01777 162.4
[M+K]+ 283.94711 143.7
[M+H-H2O]+ 227.98121 151.3
[M+HCOO]- 289.98215 168.8
[M+CH3COO]- 303.99780 181.8
[M+Na-2H]- 265.95862 153.6
[M]+ 244.98340 145.1
[M]- 244.98450 145.1
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