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]+ 207.068356 142.8
[M+Na]+ 229.050298 154.3
[M-H]- 205.053804 147.5
[M+NH4]+ 224.094903 162.3
[M+K]+ 245.024238 149.2
[M+H-H2O]+ 189.058340 135.5
[M+HCOO]- 251.059281 161.6
[M+CH3COO]- 265.074931 156.8
[M+Na-2H]- 227.035746 147.1
[M]+ 206.06053142 145.7
[M]- 206.06162858 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