CID 91799055

1-benzyl-3-(chloromethyl)pyrazole

Structural Information

Molecular Formula
C11H11ClN2
SMILES
C1=CC=C(C=C1)CN2C=CC(=N2)CCl
InChI
InChI=1S/C11H11ClN2/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKey
KRXRSWGHLHCORV-UHFFFAOYSA-N
Compound name
1-benzyl-3-(chloromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.06108 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 143.3
[M+Na]+ 229.05030 158.6
[M+NH4]+ 224.09490 152.7
[M+K]+ 245.02424 151.6
[M-H]- 205.05380 146.9
[M+Na-2H]- 227.03575 152.8
[M]+ 206.06053 146.8
[M]- 206.06163 146.8
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