CID 4265144

N'-(2-chloroacetyl)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C9H8ClN3O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC(=O)CCl
InChI
InChI=1S/C9H8ClN3O4/c10-5-8(14)11-12-9(15)6-2-1-3-7(4-6)13(16)17/h1-4H,5H2,(H,11,14)(H,12,15)
InChIKey
NKMWKOXDTKJWLV-UHFFFAOYSA-N
Compound name
N'-(2-chloroacetyl)-3-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.02032 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.02760 151.3
[M+Na]+ 280.00954 157.0
[M-H]- 256.01304 154.7
[M+NH4]+ 275.05414 167.2
[M+K]+ 295.98348 150.4
[M+H-H2O]+ 240.01758 150.2
[M+HCOO]- 302.01852 173.3
[M+CH3COO]- 316.03417 188.8
[M+Na-2H]- 277.99499 157.4
[M]+ 257.01977 150.8
[M]- 257.02087 150.8
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.