CID 69056930

1-(1-phenyl-1h-pyrazol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC(=O)C1=NN(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O/c1-9(14)11-7-8-13(12-11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
DTPJEWGRXDIHTI-UHFFFAOYSA-N
Compound name
1-(1-phenylpyrazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

186.07932 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.6
[M+Na]+ 209.06854 147.4
[M-H]- 185.07204 143.1
[M+NH4]+ 204.11314 157.3
[M+K]+ 225.04248 144.6
[M+H-H2O]+ 169.07658 130.6
[M+HCOO]- 231.07752 161.6
[M+CH3COO]- 245.09317 181.4
[M+Na-2H]- 207.05399 143.8
[M]+ 186.07877 138.9
[M]- 186.07987 138.9
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