CID 4053025

Acetic 2-(4-chloro-2-nitrophenyl)hydrazide

Structural Information

Molecular Formula
C8H8ClN3O3
SMILES
CC(=O)NNC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H8ClN3O3/c1-5(13)10-11-7-3-2-6(9)4-8(7)12(14)15/h2-4,11H,1H3,(H,10,13)
InChIKey
YYWJDODCLSXTPL-UHFFFAOYSA-N
Compound name
N'-(4-chloro-2-nitrophenyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.02542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.03270 144.7
[M+Na]+ 252.01464 151.7
[M-H]- 228.01814 148.5
[M+NH4]+ 247.05924 162.1
[M+K]+ 267.98858 144.9
[M+H-H2O]+ 212.02268 144.0
[M+HCOO]- 274.02362 167.5
[M+CH3COO]- 288.03927 186.4
[M+Na-2H]- 250.00009 151.7
[M]+ 229.02487 144.3
[M]- 229.02597 144.3
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.