CID 50998846

5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H7F2N3O
SMILES
C1=C(C=C(C=C1F)F)CC2=NN=C(O2)N
InChI
InChI=1S/C9H7F2N3O/c10-6-1-5(2-7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14)
InChIKey
RWMWNQXLNITZPU-UHFFFAOYSA-N
Compound name
5-[(3,5-difluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.05573 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.06301 140.3
[M+Na]+ 234.04495 151.2
[M-H]- 210.04845 143.0
[M+NH4]+ 229.08955 156.7
[M+K]+ 250.01889 148.4
[M+H-H2O]+ 194.05299 130.8
[M+HCOO]- 256.05393 162.1
[M+CH3COO]- 270.06958 187.3
[M+Na-2H]- 232.03040 145.2
[M]+ 211.05518 138.9
[M]- 211.05628 138.9
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

No patent data available for this compound.