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

5
Patents

241.02542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.03270 148.9
[M+Na]+ 264.01464 155.0
[M-H]- 240.01814 153.6
[M+NH4]+ 259.05924 166.0
[M+K]+ 279.98858 148.7
[M+H-H2O]+ 224.02268 147.6
[M+HCOO]- 286.02362 172.1
[M+CH3COO]- 300.03927 190.7
[M+Na-2H]- 262.00009 155.2
[M]+ 241.02487 149.1
[M]- 241.02597 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