CID 13630086

3-chloro-1-methyl-1h-pyrazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

179
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 117.4
[M+Na]+ 139.00335 131.1
[M+NH4]+ 134.04795 126.7
[M+K]+ 154.97729 126.3
[M-H]- 115.00685 118.4
[M+Na-2H]- 136.98880 124.6
[M]+ 116.01358 119.9
[M]- 116.01468 119.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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