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 141.7
[M+Na]+ 224.08575 148.4
[M-H]- 200.08925 141.9
[M+NH4]+ 219.13035 160.2
[M+K]+ 240.05969 145.8
[M+H-H2O]+ 184.09379 134.0
[M+HCOO]- 246.09473 162.9
[M+CH3COO]- 260.11038 186.3
[M+Na-2H]- 222.07120 148.1
[M]+ 201.09598 138.8
[M]- 201.09708 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.