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]+ 207.03197 141.1
[M+Na]+ 229.01391 150.6
[M-H]- 205.01741 144.0
[M+NH4]+ 224.05851 159.0
[M+K]+ 244.98785 145.3
[M+H-H2O]+ 189.02195 133.8
[M+HCOO]- 251.02289 158.2
[M+CH3COO]- 265.03854 153.9
[M+Na-2H]- 226.99936 145.8
[M]+ 206.02414 141.1
[M]- 206.02524 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.