CID 155293604

4-(4-chloro-3-methoxyphenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
COC1=C(C=CC(=C1)C2=CNN=C2)Cl
InChI
InChI=1S/C10H9ClN2O/c1-14-10-4-7(2-3-9(10)11)8-5-12-13-6-8/h2-6H,1H3,(H,12,13)
InChIKey
WODQJWDEFYSXJY-UHFFFAOYSA-N
Compound name
4-(4-chloro-3-methoxyphenyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 141.8
[M+Na]+ 231.02956 152.2
[M-H]- 207.03306 144.9
[M+NH4]+ 226.07416 160.1
[M+K]+ 247.00350 147.0
[M+H-H2O]+ 191.03760 134.6
[M+HCOO]- 253.03854 159.7
[M+CH3COO]- 267.05419 155.0
[M+Na-2H]- 229.01501 146.9
[M]+ 208.03979 143.5
[M]- 208.04089 143.5
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.