CID 132488599

2056235-52-8

Structural Information

Molecular Formula
C17H10F5N3O
SMILES
C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)NC(=O)C3=C(NN=C3)C(F)F
InChI
InChI=1S/C17H10F5N3O/c18-11-5-8(6-12(19)14(11)20)9-3-1-2-4-13(9)24-17(26)10-7-23-25-15(10)16(21)22/h1-7,16H,(H,23,25)(H,24,26)
InChIKey
SYGSBKQBCWBROS-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-N-[2-(3,4,5-trifluorophenyl)phenyl]-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

367.0744 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08168 178.1
[M+Na]+ 390.06362 187.8
[M-H]- 366.06712 178.6
[M+NH4]+ 385.10822 188.4
[M+K]+ 406.03756 180.0
[M+H-H2O]+ 350.07166 164.4
[M+HCOO]- 412.07260 193.4
[M+CH3COO]- 426.08825 216.3
[M+Na-2H]- 388.04907 175.5
[M]+ 367.07385 171.1
[M]- 367.07495 171.1
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