CID 84763049

2411240-64-5

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
C1=C(N=C(O1)C(F)F)CN
InChI
InChI=1S/C5H6F2N2O/c6-4(7)5-9-3(1-8)2-10-5/h2,4H,1,8H2
InChIKey
QJARSXKPLBXDSU-UHFFFAOYSA-N
Compound name
[2-(difluoromethyl)-1,3-oxazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04482 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.052096 124.7
[M+Na]+ 171.034038 133.5
[M-H]- 147.037544 124.9
[M+NH4]+ 166.078643 144.6
[M+K]+ 187.007978 133.3
[M+H-H2O]+ 131.042080 116.9
[M+HCOO]- 193.043021 146.5
[M+CH3COO]- 207.058671 175.4
[M+Na-2H]- 169.019486 129.7
[M]+ 148.04427142 122.0
[M]- 148.04536858 122.0
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.