CID 117232826

1890923-07-5

Structural Information

Molecular Formula
C4H5ClN2O
SMILES
CN1C(=C(C=N1)O)Cl
InChI
InChI=1S/C4H5ClN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3
InChIKey
HGCHMNBAHKJTGT-UHFFFAOYSA-N
Compound name
5-chloro-1-methylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

132.00903 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.016306 121.0
[M+Na]+ 154.998248 132.5
[M-H]- 131.001754 121.3
[M+NH4]+ 150.042853 142.7
[M+K]+ 170.972188 129.6
[M+H-H2O]+ 115.006290 115.7
[M+HCOO]- 177.007231 139.2
[M+CH3COO]- 191.022881 167.3
[M+Na-2H]- 152.983696 126.9
[M]+ 132.00848142 122.6
[M]- 132.00957858 122.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe