CID 24701715

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

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C=N2)C=O
InChI
InChI=1S/C10H7ClN2O/c11-9-2-1-3-10(4-9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
WZXGTPGACUQZRZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.02469 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 140.6
[M+Na]+ 229.013908 151.7
[M-H]- 205.017414 145.1
[M+NH4]+ 224.058513 159.6
[M+K]+ 244.987848 146.8
[M+H-H2O]+ 189.021950 133.1
[M+HCOO]- 251.022891 160.1
[M+CH3COO]- 265.038541 154.5
[M+Na-2H]- 226.999356 146.1
[M]+ 206.02414142 143.4
[M]- 206.02523858 143.4
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

patents stripe