CID 204169

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

Structural Information

Molecular Formula
C4H5ClN2
SMILES
CC1=C(C=NN1)Cl
InChI
InChI=1S/C4H5ClN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)
InChIKey
LCDKUXJKMAFCTI-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

403
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 118.0
[M+Na]+ 139.00335 131.0
[M+NH4]+ 134.04795 126.9
[M+K]+ 154.97729 126.5
[M-H]- 115.00685 118.4
[M+Na-2H]- 136.98880 124.5
[M]+ 116.01358 120.1
[M]- 116.01468 120.1
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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