CID 119093319

857808-06-1

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N(N=C2)C(=O)Cl
InChI
InChI=1S/C8H4ClN3O3/c9-8(13)11-7-3-6(12(14)15)2-1-5(7)4-10-11/h1-4H
InChIKey
CDWMVFDETZPHSL-UHFFFAOYSA-N
Compound name
6-nitroindazole-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.001406 141.4
[M+Na]+ 247.983348 152.1
[M-H]- 223.986854 144.2
[M+NH4]+ 243.027953 159.8
[M+K]+ 263.957288 144.6
[M+H-H2O]+ 207.991390 139.7
[M+HCOO]- 269.992331 161.5
[M+CH3COO]- 284.007981 179.4
[M+Na-2H]- 245.968796 150.1
[M]+ 224.99358142 144.1
[M]- 224.99467858 144.1
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

No patent data available for this compound.