CID 3287199

618091-02-4

Structural Information

Molecular Formula
C12H11F3N4O2
SMILES
COC1=CC=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F
InChI
InChI=1S/C12H11F3N4O2/c1-21-9-5-3-2-4-8(9)19-10(12(13,14)15)7(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKey
REQSCFGCDHTAIP-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09068 163.2
[M+Na]+ 323.07262 170.1
[M+NH4]+ 318.11722 166.3
[M+K]+ 339.04656 168.7
[M-H]- 299.07612 160.2
[M+Na-2H]- 321.05807 166.7
[M]+ 300.08285 162.7
[M]- 300.08395 162.7
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

No patent data available for this compound.