CID 12248302

1-(chloromethyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C4H5ClN2
SMILES
C1=CN(N=C1)CCl
InChI
InChI=1S/C4H5ClN2/c5-4-7-3-1-2-6-7/h1-3H,4H2
InChIKey
HBSKKAUPEAYDNB-UHFFFAOYSA-N
Compound name
1-(chloromethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

116.01413 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.021406 118.0
[M+Na]+ 139.003348 128.1
[M-H]- 115.006854 118.8
[M+NH4]+ 134.047953 140.4
[M+K]+ 154.977288 125.8
[M+H-H2O]+ 99.011390 111.8
[M+HCOO]- 161.012331 137.5
[M+CH3COO]- 175.027981 165.9
[M+Na-2H]- 136.988796 125.8
[M]+ 116.01358142 119.3
[M]- 116.01467858 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe