CID 15066333

137487-60-6

Structural Information

Molecular Formula
C7H9ClN2O2
SMILES
CCOC(=O)C1=C(NN=C1)CCl
InChI
InChI=1S/C7H9ClN2O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2-3H2,1H3,(H,9,10)
InChIKey
SJOBUQJQZHZTPG-UHFFFAOYSA-N
Compound name
ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

188.03525 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.04253 137.2
[M+Na]+ 211.02447 146.5
[M-H]- 187.02797 136.9
[M+NH4]+ 206.06907 156.2
[M+K]+ 226.99841 143.2
[M+H-H2O]+ 171.03251 131.0
[M+HCOO]- 233.03345 153.9
[M+CH3COO]- 247.04910 176.4
[M+Na-2H]- 209.00992 141.1
[M]+ 188.03470 139.7
[M]- 188.03580 139.7
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