CID 86687

18247-80-8

Structural Information

Molecular Formula
C9H8ClN3O3
SMILES
CC(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H8ClN3O3/c1-6(14)9(10)12-11-7-2-4-8(5-3-7)13(15)16/h2-5,11H,1H3
InChIKey
FJTPZIFCLVITGT-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-2-oxopropanehydrazonoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.02542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.032696 148.9
[M+Na]+ 264.014638 155.0
[M-H]- 240.018144 153.6
[M+NH4]+ 259.059243 166.0
[M+K]+ 279.988578 148.7
[M+H-H2O]+ 224.022680 147.6
[M+HCOO]- 286.023621 172.1
[M+CH3COO]- 300.039271 190.7
[M+Na-2H]- 262.000086 155.2
[M]+ 241.02487142 149.1
[M]- 241.02596858 149.1
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