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]+ 226.00141 141.4
[M+Na]+ 247.98335 152.1
[M-H]- 223.98685 144.2
[M+NH4]+ 243.02795 159.8
[M+K]+ 263.95729 144.6
[M+H-H2O]+ 207.99139 139.7
[M+HCOO]- 269.99233 161.5
[M+CH3COO]- 284.00798 179.4
[M+Na-2H]- 245.96880 150.1
[M]+ 224.99358 144.1
[M]- 224.99468 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.