CID 62488295

1-[2-(chloromethyl)phenyl]-3-methyl-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC1=NN(C=C1)C2=CC=CC=C2CCl
InChI
InChI=1S/C11H11ClN2/c1-9-6-7-14(13-9)11-5-3-2-4-10(11)8-12/h2-7H,8H2,1H3
InChIKey
CGBAJMASZPYWGG-UHFFFAOYSA-N
Compound name
1-[2-(chloromethyl)phenyl]-3-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 143.0
[M+Na]+ 229.05030 153.6
[M-H]- 205.05380 147.3
[M+NH4]+ 224.09490 162.2
[M+K]+ 245.02424 148.5
[M+H-H2O]+ 189.05834 135.4
[M+HCOO]- 251.05928 161.8
[M+CH3COO]- 265.07493 156.6
[M+Na-2H]- 227.03575 148.0
[M]+ 206.06053 145.5
[M]- 206.06163 145.5
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.