CID 18411593

4-(chloromethyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C4H5ClN2
SMILES
C1=C(C=NN1)CCl
InChI
InChI=1S/C4H5ClN2/c5-1-4-2-6-7-3-4/h2-3H,1H2,(H,6,7)
InChIKey
CSRWSPHRKUSDRE-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

116.01413 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02141 118.2
[M+Na]+ 139.00335 130.9
[M+NH4]+ 134.04795 127.1
[M+K]+ 154.97729 126.2
[M-H]- 115.00685 118.6
[M+Na-2H]- 136.98880 125.0
[M]+ 116.01358 120.2
[M]- 116.01468 120.2
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

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