CID 4671118

1-(4-bromophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carbohydrazide

Structural Information

Molecular Formula
C11H8BrF3N4O
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F)Br
InChI
InChI=1S/C11H8BrF3N4O/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
MDQIFDVHKADMQY-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.98337 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.99065 168.5
[M+Na]+ 370.97259 180.4
[M-H]- 346.97609 171.9
[M+NH4]+ 366.01719 183.9
[M+K]+ 386.94653 167.3
[M+H-H2O]+ 330.98063 163.6
[M+HCOO]- 392.98157 185.7
[M+CH3COO]- 406.99722 208.9
[M+Na-2H]- 368.95804 171.9
[M]+ 347.98282 181.8
[M]- 347.98392 181.8
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.