CID 2776448

175137-32-3

Structural Information

Molecular Formula
C11H9F3N4O
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NN)C(F)(F)F
InChI
InChI=1S/C11H9F3N4O/c12-11(13,14)9-8(10(19)17-15)6-16-18(9)7-4-2-1-3-5-7/h1-6H,15H2,(H,17,19)
InChIKey
HHPIIZJILLCOBV-UHFFFAOYSA-N
Compound name
1-phenyl-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

270.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08013 154.4
[M+Na]+ 293.06207 163.0
[M-H]- 269.06557 155.0
[M+NH4]+ 288.10667 169.0
[M+K]+ 309.03601 158.8
[M+H-H2O]+ 253.07011 143.6
[M+HCOO]- 315.07105 174.1
[M+CH3COO]- 329.08670 199.1
[M+Na-2H]- 291.04752 158.1
[M]+ 270.07230 148.8
[M]- 270.07340 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe