CID 130600722

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,2-difluoroethan-1-amine

Structural Information

Molecular Formula
C7H9F2N3O
SMILES
C1CC1C2=NOC(=N2)C(CN)(F)F
InChI
InChI=1S/C7H9F2N3O/c8-7(9,3-10)6-11-5(12-13-6)4-1-2-4/h4H,1-3,10H2
InChIKey
YNPFRVUQULVAHG-UHFFFAOYSA-N
Compound name
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,2-difluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07137 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07865 136.4
[M+Na]+ 212.06059 147.0
[M-H]- 188.06409 139.3
[M+NH4]+ 207.10519 148.6
[M+K]+ 228.03453 144.2
[M+H-H2O]+ 172.06863 127.3
[M+HCOO]- 234.06957 156.1
[M+CH3COO]- 248.08522 185.5
[M+Na-2H]- 210.04604 142.5
[M]+ 189.07082 136.4
[M]- 189.07192 136.4
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.