CID 2777625

68159-07-9

Structural Information

Molecular Formula
C9H6ClN3O3
SMILES
CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)Cl
InChI
InChI=1S/C9H6ClN3O3/c1-5(14)12-8-3-2-6(13(15)16)4-7(8)9(10)11-12/h2-4H,1H3
InChIKey
DEEUMCDEYWSONU-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-nitroindazol-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.00977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01705 146.1
[M+Na]+ 261.99899 157.3
[M-H]- 238.00249 149.1
[M+NH4]+ 257.04359 164.3
[M+K]+ 277.97293 149.6
[M+H-H2O]+ 222.00703 144.5
[M+HCOO]- 284.00797 165.9
[M+CH3COO]- 298.02362 183.6
[M+Na-2H]- 259.98444 153.7
[M]+ 239.00922 149.6
[M]- 239.01032 149.6
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.