CID 79139837

1-[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H8F2N2O
SMILES
C1=CC(=C(C=C1F)F)C2=C(N=CO2)CN
InChI
InChI=1S/C10H8F2N2O/c11-6-1-2-7(8(12)3-6)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKey
LBEFUTGHHVLWOH-UHFFFAOYSA-N
Compound name
[5-(2,4-difluorophenyl)-1,3-oxazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.06047 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06775 140.4
[M+Na]+ 233.04969 150.9
[M-H]- 209.05319 144.4
[M+NH4]+ 228.09429 158.2
[M+K]+ 249.02363 148.0
[M+H-H2O]+ 193.05773 131.7
[M+HCOO]- 255.05867 163.2
[M+CH3COO]- 269.07432 187.5
[M+Na-2H]- 231.03514 144.9
[M]+ 210.05992 138.8
[M]- 210.06102 138.8
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.