CID 3339000

N'-(2,2-dichloroacetyl)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C9H7Cl2N3O4
SMILES
C1=CC(=CC=C1C(=O)NNC(=O)C(Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C9H7Cl2N3O4/c10-7(11)9(16)13-12-8(15)5-1-3-6(4-2-5)14(17)18/h1-4,7H,(H,12,15)(H,13,16)
InChIKey
XIERRIXACLURBV-UHFFFAOYSA-N
Compound name
N'-(2,2-dichloroacetyl)-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.98135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.98863 157.6
[M+Na]+ 313.97057 163.1
[M-H]- 289.97407 160.3
[M+NH4]+ 309.01517 172.5
[M+K]+ 329.94451 155.9
[M+H-H2O]+ 273.97861 157.8
[M+HCOO]- 335.97955 173.7
[M+CH3COO]- 349.99520 194.2
[M+Na-2H]- 311.95602 161.8
[M]+ 290.98080 158.0
[M]- 290.98190 158.0
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.