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]+ 301.090676 162.3
[M+Na]+ 323.072618 171.1
[M-H]- 299.076124 163.1
[M+NH4]+ 318.117223 175.8
[M+K]+ 339.046558 167.3
[M+H-H2O]+ 283.080660 151.4
[M+HCOO]- 345.081601 181.7
[M+CH3COO]- 359.097251 205.5
[M+Na-2H]- 321.058066 164.8
[M]+ 300.08285142 158.7
[M]- 300.08394858 158.7
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.