CID 4197265

618091-00-2

Structural Information

Molecular Formula
C12H11F3N4O
SMILES
CC1=CC=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F
InChI
InChI=1S/C12H11F3N4O/c1-7-4-2-3-5-9(7)19-10(12(13,14)15)8(6-17-19)11(20)18-16/h2-6H,16H2,1H3,(H,18,20)
InChIKey
INEWEBSCNQRRKP-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09578 159.6
[M+Na]+ 307.07772 168.7
[M-H]- 283.08122 160.5
[M+NH4]+ 302.12232 174.0
[M+K]+ 323.05166 164.3
[M+H-H2O]+ 267.08576 149.0
[M+HCOO]- 329.08670 178.9
[M+CH3COO]- 343.10235 203.3
[M+Na-2H]- 305.06317 162.0
[M]+ 284.08795 154.7
[M]- 284.08905 154.7
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

patents stripe