CID 2736647

175137-34-5

Structural Information

Molecular Formula
C11H8ClF3N4O
SMILES
C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NN)C(F)(F)F)Cl
InChI
InChI=1S/C11H8ClF3N4O/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
XAUUHCLUKWEZCQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

304.03387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.041146 161.3
[M+Na]+ 327.023088 171.4
[M-H]- 303.026594 162.0
[M+NH4]+ 322.067693 175.7
[M+K]+ 342.997028 165.5
[M+H-H2O]+ 287.031130 151.2
[M+HCOO]- 349.032071 176.3
[M+CH3COO]- 363.047721 204.0
[M+Na-2H]- 325.008536 163.7
[M]+ 304.03332142 158.2
[M]- 304.03441858 158.2
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