CID 203733

5-(3-chloropropoxy)-3-methyl-1-phenylpyrazole

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CC1=NN(C(=C1)OCCCCl)C2=CC=CC=C2
InChI
InChI=1S/C13H15ClN2O/c1-11-10-13(17-9-5-8-14)16(15-11)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3
InChIKey
ZFDZSSZJHZEVHF-UHFFFAOYSA-N
Compound name
5-(3-chloropropoxy)-3-methyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0873 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 155.3
[M+Na]+ 273.07652 170.1
[M+NH4]+ 268.12112 163.8
[M+K]+ 289.05046 163.4
[M-H]- 249.08002 158.4
[M+Na-2H]- 271.06197 163.6
[M]+ 250.08675 158.6
[M]- 250.08785 158.6
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.