CID 521507

5-chloro-1,3-dimethyl-1h-pyrazole

Structural Information

Molecular Formula
C5H7ClN2
SMILES
CC1=NN(C(=C1)Cl)C
InChI
InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKey
DDUSLFAWARYAPR-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

777
Patents

130.02977 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.03705 121.8
[M+Na]+ 153.01899 135.6
[M+NH4]+ 148.06359 130.9
[M+K]+ 168.99293 130.7
[M-H]- 129.02249 122.7
[M+Na-2H]- 151.00444 128.4
[M]+ 130.02922 124.2
[M]- 130.03032 124.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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