CID 12581094

1-methyl-5-(4-nitrophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CN1C(=CC=N1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2/c1-12-10(6-7-11-12)8-2-4-9(5-3-8)13(14)15/h2-7H,1H3
InChIKey
RYDRFLGHCCWBPA-UHFFFAOYSA-N
Compound name
1-methyl-5-(4-nitrophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.06947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07675 140.6
[M+Na]+ 226.05869 155.1
[M+NH4]+ 221.10329 148.7
[M+K]+ 242.03263 153.1
[M-H]- 202.06219 144.7
[M+Na-2H]- 224.04414 148.9
[M]+ 203.06892 143.7
[M]- 203.07002 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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