CID 12344835

5-chloro-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5ClN2
SMILES
CN1C(=CC=N1)Cl
InChI
InChI=1S/C4H5ClN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
InChIKey
UFXKNUCUAXZUEB-UHFFFAOYSA-N
Compound name
5-chloro-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

218
Patents

116.01413 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02141 117.6
[M+Na]+ 139.00335 128.7
[M-H]- 115.00685 118.9
[M+NH4]+ 134.04795 140.4
[M+K]+ 154.97729 126.4
[M+H-H2O]+ 99.011390 111.8
[M+HCOO]- 161.01233 137.1
[M+CH3COO]- 175.02798 166.9
[M+Na-2H]- 136.98880 124.8
[M]+ 116.01358 119.4
[M]- 116.01468 119.4
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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