CID 10607288

4-(1h-pyrazol-3-yl)benzaldehyde hydrochloride

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC(=CC=C1C=O)C2=CC=NN2
InChI
InChI=1S/C10H8N2O/c13-7-8-1-3-9(4-2-8)10-5-6-11-12-10/h1-7H,(H,11,12)
InChIKey
OSTFMHHFZUBNQW-UHFFFAOYSA-N
Compound name
4-(1H-pyrazol-5-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

172.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 134.3
[M+Na]+ 195.05288 143.5
[M-H]- 171.05638 137.4
[M+NH4]+ 190.09748 152.9
[M+K]+ 211.02682 139.5
[M+H-H2O]+ 155.06092 126.7
[M+HCOO]- 217.06186 157.2
[M+CH3COO]- 231.07751 147.7
[M+Na-2H]- 193.03833 140.8
[M]+ 172.06311 133.1
[M]- 172.06421 133.1
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