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 163.4
[M+Na]+ 334.07739 173.9
[M-H]- 310.08089 168.7
[M+NH4]+ 329.12199 172.8
[M+K]+ 350.05133 170.5
[M+H-H2O]+ 294.08543 153.5
[M+HCOO]- 356.08637 181.1
[M+CH3COO]- 370.10202 206.1
[M+Na-2H]- 332.06284 168.2
[M]+ 311.08762 164.2
[M]- 311.08872 164.2
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