CID 135334200

2098334-79-1

Structural Information

Molecular Formula
C14H12F3N3O2
SMILES
CC(=O)NC1(CC1)C2=CC=C(C=C2)C3=NOC(=N3)C(F)(F)F
InChI
InChI=1S/C14H12F3N3O2/c1-8(21)19-13(6-7-13)10-4-2-9(3-5-10)11-18-12(22-20-11)14(15,16)17/h2-5H,6-7H2,1H3,(H,19,21)
InChIKey
NPZBHEFIOWGOAW-UHFFFAOYSA-N
Compound name
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

311.08817 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09545 174.4
[M+Na]+ 334.07739 183.3
[M+NH4]+ 329.12199 179.9
[M+K]+ 350.05133 180.8
[M-H]- 310.08089 179.9
[M+Na-2H]- 332.06284 181.7
[M]+ 311.08762 178.0
[M]- 311.08872 178.0
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