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 143.6
[M+Na]+ 261.99899 158.6
[M+NH4]+ 257.04359 151.3
[M+K]+ 277.97293 157.1
[M-H]- 238.00249 145.5
[M+Na-2H]- 259.98444 149.3
[M]+ 239.00922 146.4
[M]- 239.01032 146.4
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.