CID 199977

5-(2-chloroethoxy)-3-methyl-1-phenylpyrazole

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
CC1=NN(C(=C1)OCCCl)C2=CC=CC=C2
InChI
InChI=1S/C12H13ClN2O/c1-10-9-12(16-8-7-13)15(14-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKey
XKNAUWCCPDILRI-UHFFFAOYSA-N
Compound name
5-(2-chloroethoxy)-3-methyl-1-phenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07164 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 150.7
[M+Na]+ 259.06086 165.7
[M+NH4]+ 254.10546 159.4
[M+K]+ 275.03480 159.3
[M-H]- 235.06436 153.9
[M+Na-2H]- 257.04631 159.3
[M]+ 236.07109 154.1
[M]- 236.07219 154.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.