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]+ 289.07070 157.3
[M+Na]+ 311.05264 166.8
[M-H]- 287.05614 157.0
[M+NH4]+ 306.09724 171.4
[M+K]+ 327.02658 162.2
[M+H-H2O]+ 271.06068 145.9
[M+HCOO]- 333.06162 175.9
[M+CH3COO]- 347.07727 203.1
[M+Na-2H]- 309.03809 159.7
[M]+ 288.06287 150.9
[M]- 288.06397 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.