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

8
Patents

255.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.069226 150.8
[M+Na]+ 278.051168 158.9
[M-H]- 254.054674 150.1
[M+NH4]+ 273.095773 165.6
[M+K]+ 294.025108 154.2
[M+H-H2O]+ 238.059210 140.4
[M+HCOO]- 300.060151 168.5
[M+CH3COO]- 314.075801 190.9
[M+Na-2H]- 276.036616 155.2
[M]+ 255.06140142 144.6
[M]- 255.06249858 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