CID 43430659

N-(1h-pyrazol-4-yl)-2-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C11H8F3N3O
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CNN=C2)C(F)(F)F
InChI
InChI=1S/C11H8F3N3O/c12-11(13,14)9-4-2-1-3-8(9)10(18)17-7-5-15-16-6-7/h1-6H,(H,15,16)(H,17,18)
InChIKey
AJIYMXAGEBSSPE-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06923 150.8
[M+Na]+ 278.05117 158.9
[M-H]- 254.05467 150.1
[M+NH4]+ 273.09577 165.6
[M+K]+ 294.02511 154.2
[M+H-H2O]+ 238.05921 140.4
[M+HCOO]- 300.06015 168.5
[M+CH3COO]- 314.07580 190.9
[M+Na-2H]- 276.03662 155.2
[M]+ 255.06140 144.6
[M]- 255.06250 144.6
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