CID 4276952

618090-96-3

Structural Information

Molecular Formula
C11H8F4N4O
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F)F
InChI
InChI=1S/C11H8F4N4O/c12-6-1-3-7(4-2-6)19-9(11(13,14)15)8(5-17-19)10(20)18-16/h1-5H,16H2,(H,18,20)
InChIKey
MYRVUECGBOBAHP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.06342 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070696 157.3
[M+Na]+ 311.052638 166.8
[M-H]- 287.056144 157.0
[M+NH4]+ 306.097243 171.4
[M+K]+ 327.026578 162.2
[M+H-H2O]+ 271.060680 145.9
[M+HCOO]- 333.061621 175.9
[M+CH3COO]- 347.077271 203.1
[M+Na-2H]- 309.038086 159.7
[M]+ 288.06287142 150.9
[M]- 288.06396858 150.9
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.