CID 2737070

3-(3-nitrophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C9H7N3O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=NN2
InChI
InChI=1S/C9H7N3O2/c13-12(14)8-3-1-2-7(6-8)9-4-5-10-11-9/h1-6H,(H,10,11)
InChIKey
RUWXJVIBNZSEQD-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

45
Patents

189.05383 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06111 136.3
[M+Na]+ 212.04305 150.0
[M+NH4]+ 207.08765 144.2
[M+K]+ 228.01699 148.4
[M-H]- 188.04655 139.8
[M+Na-2H]- 210.02850 144.5
[M]+ 189.05328 139.0
[M]- 189.05438 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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