CID 2744635

3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carbohydrazide

Structural Information

Molecular Formula
C10H7F3N4O3
SMILES
C1=CC(=CC=C1C2=NOC(=N2)C(=O)NN)OC(F)(F)F
InChI
InChI=1S/C10H7F3N4O3/c11-10(12,13)19-6-3-1-5(2-4-6)7-15-9(20-17-7)8(18)16-14/h1-4H,14H2,(H,16,18)
InChIKey
YRNKLMFDYOTVIN-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

288.04703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.054306 156.4
[M+Na]+ 311.036248 165.2
[M-H]- 287.039754 157.9
[M+NH4]+ 306.080853 168.8
[M+K]+ 327.010188 163.3
[M+H-H2O]+ 271.044290 145.6
[M+HCOO]- 333.045231 175.9
[M+CH3COO]- 347.060881 200.6
[M+Na-2H]- 309.021696 161.5
[M]+ 288.04648142 153.8
[M]- 288.04757858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe