CID 3785433

1-(3-chlorophenyl)-3-(4-nitrophenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C16H10ClN3O3
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=O
InChI
InChI=1S/C16H10ClN3O3/c17-13-2-1-3-15(8-13)19-9-12(10-21)16(18-19)11-4-6-14(7-5-11)20(22)23/h1-10H
InChIKey
XFMALEMAJOQTQH-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4-nitrophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.04108 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04836 170.9
[M+Na]+ 350.03030 188.1
[M+NH4]+ 345.07490 178.6
[M+K]+ 366.00424 184.1
[M-H]- 326.03380 177.1
[M+Na-2H]- 348.01575 180.7
[M]+ 327.04053 175.4
[M]- 327.04163 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.