CID 19616895

1006440-80-7

Structural Information

Molecular Formula
C5H6ClN3O3
SMILES
C1=C(C(=NN1CCO)[N+](=O)[O-])Cl
InChI
InChI=1S/C5H6ClN3O3/c6-4-3-8(1-2-10)7-5(4)9(11)12/h3,10H,1-2H2
InChIKey
FCNMUYFVTXXSSL-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-nitropyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.00977 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.01705 135.0
[M+Na]+ 213.99899 144.3
[M-H]- 190.00249 135.1
[M+NH4]+ 209.04359 153.1
[M+K]+ 229.97293 137.6
[M+H-H2O]+ 174.00703 133.8
[M+HCOO]- 236.00797 154.1
[M+CH3COO]- 250.02362 171.4
[M+Na-2H]- 211.98444 142.0
[M]+ 191.00922 135.6
[M]- 191.01032 135.6
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

No patent data available for this compound.