CID 165874630

3-(benzyloxy)-2,2-difluoropropan-1-amine

Structural Information

Molecular Formula
C10H13F2NO
SMILES
C1=CC=C(C=C1)COCC(CN)(F)F
InChI
InChI=1S/C10H13F2NO/c11-10(12,7-13)8-14-6-9-4-2-1-3-5-9/h1-5H,6-8,13H2
InChIKey
XDAIBZPLXYPXQY-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-phenylmethoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09653 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10381 143.7
[M+Na]+ 224.08575 153.0
[M+NH4]+ 219.13035 150.5
[M+K]+ 240.05969 147.2
[M-H]- 200.08925 142.8
[M+Na-2H]- 222.07120 149.1
[M]+ 201.09598 144.5
[M]- 201.09708 144.5
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.