CID 71758184

1,1-difluoro-4-phenylbutan-2-amine hydrochloride

Structural Information

Molecular Formula
C10H13F2N
SMILES
C1=CC=C(C=C1)CCC(C(F)F)N
InChI
InChI=1S/C10H13F2N/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2
InChIKey
PYIMECQVKFNUED-UHFFFAOYSA-N
Compound name
1,1-difluoro-4-phenylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.10161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.10889 139.5
[M+Na]+ 208.09083 145.1
[M-H]- 184.09433 139.5
[M+NH4]+ 203.13543 158.4
[M+K]+ 224.06477 142.6
[M+H-H2O]+ 168.09887 131.5
[M+HCOO]- 230.09981 159.9
[M+CH3COO]- 244.11546 185.7
[M+Na-2H]- 206.07628 142.6
[M]+ 185.10106 134.3
[M]- 185.10216 134.3
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.