CID 952089

1-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)N2C=C(C=N2)C=O
InChI
InChI=1S/C10H8N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-8H
InChIKey
PHVRLPFVPVKYOI-UHFFFAOYSA-N
Compound name
1-phenylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

228
Patents

172.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.7
[M+Na]+ 195.05288 143.2
[M-H]- 171.05638 138.2
[M+NH4]+ 190.09748 153.0
[M+K]+ 211.02682 140.2
[M+H-H2O]+ 155.06092 125.7
[M+HCOO]- 217.06186 158.0
[M+CH3COO]- 231.07751 147.8
[M+Na-2H]- 193.03833 140.6
[M]+ 172.06311 134.3
[M]- 172.06421 134.3
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

patents stripe