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]+ 202.103806 141.7
[M+Na]+ 224.085748 148.4
[M-H]- 200.089254 141.9
[M+NH4]+ 219.130353 160.2
[M+K]+ 240.059688 145.8
[M+H-H2O]+ 184.093790 134.0
[M+HCOO]- 246.094731 162.9
[M+CH3COO]- 260.110381 186.3
[M+Na-2H]- 222.071196 148.1
[M]+ 201.09598142 138.8
[M]- 201.09707858 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.