CID 3821203

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

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-11H,1H3
InChIKey
IUJBSEZTTFSKNC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.06656 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 170.4
[M+Na]+ 335.05578 181.5
[M-H]- 311.05928 178.3
[M+NH4]+ 330.10038 185.0
[M+K]+ 351.02972 175.0
[M+H-H2O]+ 295.06382 161.0
[M+HCOO]- 357.06476 189.0
[M+CH3COO]- 371.08041 182.7
[M+Na-2H]- 333.04123 172.9
[M]+ 312.06601 175.4
[M]- 312.06711 175.4
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

No patent data available for this compound.