CID 114989369

4-(4-chlorobenzoyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC(=CC=C1C(=O)C2=CNN=C2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-3-1-7(2-4-9)10(14)8-5-12-13-6-8/h1-6H,(H,12,13)
InChIKey
LXAGVSZFCMTKOX-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(1H-pyrazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 141.1
[M+Na]+ 229.013908 150.6
[M-H]- 205.017414 144.0
[M+NH4]+ 224.058513 159.0
[M+K]+ 244.987848 145.3
[M+H-H2O]+ 189.021950 133.8
[M+HCOO]- 251.022891 158.2
[M+CH3COO]- 265.038541 153.9
[M+Na-2H]- 226.999356 145.8
[M]+ 206.02414142 141.1
[M]- 206.02523858 141.1
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

No patent data available for this compound.