CID 39241493

1-(3-chlorophenyl)-3,5-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC1=CC(=NN1C2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C11H11ClN2/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11/h3-7H,1-2H3
InChIKey
BZHHNEUXYGUTMY-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3,5-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

206.06108 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 142.8
[M+Na]+ 229.05030 154.3
[M-H]- 205.05380 147.5
[M+NH4]+ 224.09490 162.3
[M+K]+ 245.02424 149.2
[M+H-H2O]+ 189.05834 135.5
[M+HCOO]- 251.05928 161.6
[M+CH3COO]- 265.07493 156.8
[M+Na-2H]- 227.03575 147.1
[M]+ 206.06053 145.7
[M]- 206.06163 145.7
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